SCHEMBL533385

SCHEMBL533385

COc1cccc(-c2[c]cccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP4B1 P13584 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP2A7 P20853 1/20 0.46
CYP3A7 P24462 1/20 0.46
CYP2F1 P24903 1/20 0.46
CYP2C18 P33260 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2J2 P51589 1/20 0.46
CYP4F2 P78329 1/20 0.46

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
SCHEMBL28827396 0.85 CYP1A1 (0.48) CYP3A4CYP1A2CYP2C9CYP2B6CYP1A1
SCHEMBL323109 0.84 DYRK1A (0.49) DYRK1ACLK4CYP3A4CYP1A2CYP2C9
SCHEMBL28480166 0.83 CYP1A2 (0.53) CYP3A4CYP1A2CYP2C9CYP2B6CYP2D6
SCHEMBL6131987 0.82 MAOB (0.44) HDAC8SMN1; SMN2GAAMAOBMAPT
SCHEMBL6963144 0.81 MAPT (0.47) CYP3A4RAB9ASMN1; SMN2TDP1TP53
SCHEMBL7465925 0.81 CYP1A2 (0.46) DYRK1ACLK4CYP3A4CYP1A2CYP2C9
SCHEMBL3737126 0.81 RXRA (0.48) CYP3A4SMN1; SMN2TP53GAAMAOB
SCHEMBL592654 0.79 CA4 (0.44) CLK4HDAC4HDAC8NFKB1RAB9A
SCHEMBL7832248 0.79 ACHE (0.53) DYRK1ACLK4CYP3A4CYP1A2CYP2C9
SCHEMBL3729005 0.79 KDM4E (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
CN-1159289-C C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases ������˹ҩƷ��˾ 2004-07-28 CN claimed
US-5223640-A Regioselectively silylcarbonylating arylacetylene, oxidizing, desilylating, hydrogenating HOECHST CELANESE CORPORATION (US) 1993-06-29 US claimed
WO-2019028104-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ALPHALA CO., LTD. (TW) 2019-02-07 WO disclosed
CN-104387303-B The asymmetric over cure compound of aryl-aryl, aryl-alkyl, alkyl-alkyl and synthetic method thereof 华东师范大学 2016-06-29 CN disclosed
CN-104140448-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 CN disclosed
CN-104140442-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 CN disclosed
CN-104140441-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 CN disclosed
CN-101160345-B Method for producing aromatic polymer SUMITOMO CO LTD 2013-01-16 CN disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
CN-101611071-B Method for production of block copolymer SUMITOMO CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-101160345-A Method for producing aromatic polymer SUMITOMO CHEMICAL CO (JP) 2008-04-09 CN disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
CN-1628122-A Process for producing tertiary phosphine having bulky hydrocarbon group bonded HOKKO CHEM IND CO (JP) 2005-06-15 CN disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed
EP-0581540-B1 Silicone release composition GEN ELECTRIC (US) 1997-06-04 EP disclosed
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed