SCHEMBL6056252

SCHEMBL6056252

CC1C=Cc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
CREBBP Q92793 4/20 0.35
BRPF1 P55201 1/20 0.35
NOS2 P35228 2/20 0.33
BRD4 O60885 4/20 0.32
EP300 Q09472 1/20 0.32
HTR5A P47898 1/20 0.32
P2RX4 Q99571 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PTPN1 P18031 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL12159337 1.00 GAA (0.44) GAAMAPTCREBBPBRPF1NOS2
SCHEMBL4705187 0.77 CREBBP (0.38) GAAMAPTCREBBPBRPF1NOS2
SCHEMBL24383177 0.75 NOS2 (0.39) GAAMAPTCREBBPBRPF1NOS2
SCHEMBL4283708 0.74 GAA (0.44) GAAMAPTCREBBPBRPF1BRD4
SCHEMBL5470066 0.74 GAA (0.44) GAAMAPTNOS2
SCHEMBL7442660 0.74 GAA (0.44) GAAMAPTMEN1KMT2AALOX15
SCHEMBL6111309 0.74 GAA (0.44) GAAMAPTCREBBPBRD4P2RX4
SCHEMBL18562457 0.74 GAA (0.44) GAAMAPT
SCHEMBL4540870 0.74 GAA (0.44) GAAMAPT
SCHEMBL13368086 0.74 GAA (0.40) GAAMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387631-A A dinitro-, diaminoalkane rubber component; rebound resilience, skid resistance and fuel savings THE YOKOHAMA RUBBER CO., LTD. (JP) 1995-02-07 US claimed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
EP-3224249-B1 2,2'-BIBENZO[D]IMIDAZOLIDENE COMPOUND HAVING CONDENSED RINGS AT THE 1-, 1'-, 3- AND 3'-POSITIONS, AND ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING DEVICE, IMAGE FORMING APPARATUS AND EXPOSURE UNIT, EACH CONTAINING THE SAME CANON KK (JP) 2019-08-14 EP disclosed
CN-108976230-A A method of dolasetron mesilate key intermediate is prepared based on graphene activation 东莞市联洲知识产权运营管理有限公司 2018-12-11 CN disclosed
WO-2018078005-A1 AMIDO-SUBSTITUTED AZASPIRO DERIVATIVES AS TANKYRASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed
US-9266982-B2 N ortho acyl substituted nitrogen-containing heterocyclic compound and process for preparing aminal iron (II) complexes thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-02-23 US disclosed
US-9266982-B2 N ortho acyl substituted nitrogen-containing heterocyclic compound and process for preparing aminal iron (II) complexes thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-02-23 US disclosed
US-20130267708-A1 N ORTHO ACYL SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PROCESS FOR PREPARING AMINAL IRON (II) COMPLEXES THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2013-10-10 US disclosed
US-20130267708-A1 N ORTHO ACYL SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PROCESS FOR PREPARING AMINAL IRON (II) COMPLEXES THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2013-10-10 US disclosed
EP-2617709-A1 Guanidine derivatives as antiviral agents Biotron Limited (AU) 2013-07-24 EP disclosed
WO-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO disclosed
WO-2008143440-A1 NEW ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2008-11-27 WO disclosed
EP-1722741-A1 DENTAL MATERIAL BASED ON ALKOXYSILYL-FUNCTIONAL POLYETHERS Kettenbach GmbH & CO. KG (DE) 2006-11-22 EP disclosed
WO-2005077321-A1 DENTAL MATERIAL BASED ON ALKOXYSILYL-FUNCTIONAL POLYETHERS KETTENBACH GMBH & CO. KG (DE) 2005-08-25 WO disclosed
JP-2002217066-A ELECTROLYTE FOR DRIVING ELECTROLYTIC CAPACITOR NICHICON CORP 2002-08-02 JP disclosed
US-4191777-A Maleic acid halfamides having blood pressure raising activity DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-03-04 US disclosed