SCHEMBL4411084

SCHEMBL4411084

CCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.50
MAPT P10636 2/20 0.42
LMNA P02545 5/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 2/20 0.39
HSD11B1 P28845 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 3/20 0.39
PTPN1 P18031 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL122191 0.99 NR4A3 (0.51) NR4A3MAPTLMNARAB9AKMT2A
SCHEMBL9005800 0.88 MAPT (0.51) NR4A3MAPTLMNARAB9AKMT2A
SCHEMBL9005761 0.87 NR4A3 (0.44) NR4A3MAPTLMNARAB9AKMT2A
SCHEMBL9005834 0.86 NR4A3 (0.52) NR4A3MAPTRAB9AKMT2AALDH1A1
SCHEMBL9788273 0.86 NR4A3 (0.67) NR4A3MAPTRAB9AKMT2AALDH1A1
Didecyldimethylammonium SCHEMBL5053870 0.86 NR4A3 (0.40) NR4A3MAPTLMNARAB9AKMT2A
Potassium Ion SCHEMBL3239020 0.86 NR4A3 (0.43) NR4A3MAPTLMNARAB9AKMT2A
SCHEMBL9458510 0.85 NR4A3 (0.51) NR4A3MAPTLMNARAB9AKMT2A
SCHEMBL9750701 0.85 GAA (0.43) NR4A3MAPTLMNARAB9AKMT2A
SCHEMBL9005822 0.85 NR4A3 (0.51) NR4A3MAPTLMNARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105072906-B Substituted 4-cyano-3- (pyridyl) -4-phenylbutyrates, method for the production thereof and use thereof as herbicides and plant growth regulators 拜耳作物科学股份公司 2018-01-12 CN disclosed
CN-103748075-B 2,3-diphenyl valeronitrile derivant, its preparation method and as herbicide and the purposes of plant growth regulator 拜耳知识产权有限责任公司 2016-09-07 CN disclosed
CN-105357968-A Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG 2016-02-24 CN disclosed
CN-105072906-A Substituted 4-cyano-3- (pyridyl) -4-phenylbutyrates, method for the production thereof and use thereof as herbicides and plant growth regulators BAYER CROPSCIENCE AG 2015-11-18 CN disclosed
CN-102186344-B Herbicidal combination comprising dimethoxy-triazinyl-substituted difluoromethane sulfonylanilides BAYER CROPSCIENCE AG 2015-04-01 CN disclosed
CN-102186344-A Herbicidal combination comprising dimethoxy-triazinyl-substituted difluoromethane sulfonylanilides BAYER CROPSCIENCE AG 2011-09-14 CN disclosed
US-20090317468-A1 MULTICOMPARTMENT GRANULATE FORMULATIONS FOR ACTIVE SUBSTANCES BAYER TECHNOLOGY SERVICES GMBH (DE) 2009-12-24 US disclosed
CN-101489378-A Multicompartment granulate formulations for active substances BAYER TECHNOLOGY SERVICES GMBH (DE) 2009-07-22 CN disclosed
CN-100444729-C Aqueous Pesticide Suspension Composition KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-12-24 CN disclosed
CN-1774172-A Aqueous agricultural-chemical suspension composition KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-05-17 CN disclosed