SCHEMBL720718

SCHEMBL720718

Cc1cn(-c2ccccc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 3/20 0.40
ACHE P22303 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.39
COMT P21964 2/20 0.39
KAT2B Q92831 1/20 0.39
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL19233628 0.84 CYP3A4 (0.39) NPC1MAPTRAB9ACYP1A2ALDH1A1
SCHEMBL14644154 0.84 ALDH1A1 (0.41) NPC1MAPTRAB9ACYP1A2ALDH1A1
SCHEMBL24311360 0.80 TUBB4A (0.48) NPC1MAPTRAB9ACYP1A2ALDH1A1
SCHEMBL9611418 0.80 NOTUM (0.50) MAPTALDH1A1CYP2C9KDM4EHPGD
SCHEMBL12137300 0.79 ALDH1A1 (0.47) NPC1RAB9ACYP1A2ALDH1A1CYP2C19
SCHEMBL14827194 0.77 ALDH1A1 (0.39) NPC1MAPTRAB9ACYP1A2ALDH1A1
SCHEMBL14827196 0.75 COMT (0.61) CYP1A2ALDH1A1CYP2C19CYP2C9KDM4E
SCHEMBL455368 0.74 CYP3A4 (0.41) NPC1RAB9ACYP1A2ALDH1A1CYP2C19
SCHEMBL11143098 0.72 COMT (0.59) NPC1MAPTRAB9ACYP1A2ALDH1A1
SCHEMBL14603457 0.72 CYP3A4 (0.39) NPC1MAPTRAB9ACYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329246-A Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors 阵列生物制药公司 2018-07-27 CN disclosed
CN-105130967-B Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors 阵列生物制药公司 2018-04-17 CN disclosed
EP-2997613-B1 REDOX FLOW CELL FOR STORING ELECTRICAL ENERGY AND USE THEREOF Jenabatteries GmbH (DE) 2017-11-22 EP disclosed
EP-1778413-B1 PROCESS FOR COATING METALLIC SURFACES WITH AN ANTI-CORROSIVE COATING CHEMETALL GMBH (DE) 2016-03-16 EP disclosed
US-20120208086-A1 PROCESS FOR COATING FINE PARTICLES WITH CONDUCTIVE POLYMERS DEFENSE THREAT REDUCTION AGENCY; DEPT. OF DEFENSE; UNITED STATES GOVERNMENT 2012-08-16 US disclosed
US-8216698-B2 Organic electroluminescence device, novel platinum complex compound and novel compound capable of being a ligand thereof FUJIFILM CORPORATION (JP) 2012-07-10 US disclosed
CN-101035630-B Process for coating metallic surfaces with an anti-corrosive coating CHEMETALL GMBH 2012-07-04 CN disclosed
EP-1779392-B1 PROCESS FOR COATING FINE PARTICLES WITH CONDUCTIVE POLYMERS CHEMETALL GMBH (DE) 2012-06-13 EP disclosed
US-8153278-B2 Organic electroluminescence device FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20120052307-A1 PROCESS FOR COATING METALLIC SURFACES WITH AN ANTI-CORROSIVE COATING PLIETH WALDFRIED (DE) 2012-03-01 US disclosed
US-20080305341-A1 Process for Coating Metallic Surfaces With an Anti-Corrosive Coating CHEMETALL GMBH (DE) 2008-12-11 US disclosed
US-20080175992-A1 Process For Coating Fine Particles With Conductive Polymers CHEMETALL GMBH (DE) 2008-07-24 US disclosed
US-20080171211-A1 Using electrically conductive polymer which during change in potential releases anions which inhibit the anodic or/and cathodic partial reaction of corrosion or/and releases adhesion-promoting anions CHEMETALL GMBH (DE) 2008-07-17 US disclosed
EP-1778413-A1 PROCESS FOR COATING METALLIC SURFACES WITH AN ANTI-CORROSIVE COATING Chemetall GmbH (DE) 2007-05-02 EP disclosed
EP-1779392-A1 PROCESS FOR COATING FINE PARTICLES WITH CONDUCTIVE POLYMERS Chemetall GmbH (DE) 2007-05-02 EP disclosed
EP-1776196-A2 METHOD FOR PROTECTING A METAL SURFACE BY MEANS OF A CORROSION-INHIBITING COATING Chemetall GmbH (DE) 2007-04-25 EP disclosed
WO-2006015757-A1 PROCESS FOR COATING FINE PARTICLES WITH CONDUCTIVE POLYMERS CHEMETALL GMBH (DE) 2006-02-16 WO disclosed
WO-2006015754-A2 METHOD FOR PROTECTING A METAL SURFACE BY MEANS OF A CORROSION-INHIBITING COATING CHEMETALL GMBH (DE) 2006-02-16 WO disclosed
WO-2006015756-A1 PROCESS FOR COATING METALLIC SURFACES WITH AN ANTI-CORROSIVE COATING CHEMETALL GMBH (DE) 2006-02-16 WO disclosed
CN-1088209-A Heterogeneous ring compound WELLCOME FOUND (GB) 1994-06-22 CN disclosed