SCHEMBL3279554

SCHEMBL3279554

COc1ccc2c(c1)nnn2O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.52
PKM P14618 1/20 0.51
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9172861 0.98 CTNNB1 (0.51) CTNNB1PKMPOLBMAPK1ATM
SCHEMBL3286348 0.86 HDAC3 (0.54) CTNNB1PKMPOLBMAPK1ATM
SCHEMBL15185553 0.84 CTNNB1 (0.58) CTNNB1POLBTDP1SMN1; SMN2NPC1
SCHEMBL31257342 0.80 SMN1; SMN2 (0.57) POLBTDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19848280 0.80 SMN1; SMN2 (0.57) POLBTDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19911512 0.79 ALDH1A1 (0.48) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL9321964 0.79 TDP1 (0.44) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL5921945 0.78 CTNNB1 (0.49) CTNNB1PKMPOLBMAPK1ATM
SCHEMBL19911511 0.77 TDP1 (0.43) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL19848277 0.77 F12 (0.52) POLBHDAC3HDAC4HDAC1HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US claimed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US claimed
EP-1092762-B1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems BAYER CHEMICALS AG (DE) 2004-12-08 EP claimed
US-6380142-B1 FOR USE IN ENZYMATIC TWO-COMPONENT BLEACHING SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US claimed
EP-1092762-A1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems Bayer Aktiengesellschaft (DE) 2001-04-18 EP claimed
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
WO-2020209118-A1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME 株式会社パイロットコーポレーション 2020-10-15 WO disclosed
WO-2020203603-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME パイロットインキ株式会社 2020-10-08 WO disclosed
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US disclosed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP disclosed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP disclosed
EP-0745154-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM Lignozym GmbH (DE) 1996-12-04 EP disclosed
WO-1996018770-A2 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1996-06-20 WO disclosed
EP-0717143-A1 Multicomponents system for modifying decomposing or bleaching of lignin or materials containing it or similar components and the way to use it Lignozym GmbH (DE) 1996-06-19 EP disclosed
EP-0002774-B1 PROCESS FOR ACYLATING 7AMINOCEPHEM DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-23 EP disclosed
EP-0002774-A1 Process for acylating 7aminocephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 EP disclosed