SCHEMBL11069140

SCHEMBL11069140

COc1nc(Cl)cc(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 6/20 0.42
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL25130936 0.81 POLB (0.44) POLBTDP1KDM4EALDH1A1MAPT
SCHEMBL1291135 0.81 POLB (0.59) POLBTDP1KDM4EGPR35ALDH1A1
SCHEMBL13590586 0.78 ALDH1A1 (0.44) TDP1KDM4EGPR35ALDH1A1MAPK1
SCHEMBL3407348 0.78 ALDH1A1 (0.48) POLBTDP1KDM4EGPR35ALDH1A1
SCHEMBL29199004 0.76 MCL1 (0.55) POLBTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2128678 0.76 ALDH1A1 (0.56) POLBTDP1KDM4EGPR35ALDH1A1
SCHEMBL31199000 0.76 ALDH1A1 (0.56) POLBTDP1KDM4EGPR35ALDH1A1
SCHEMBL26287686 0.76 S1PR1 (0.39) KDM4EGPR35ALDH1A1MAPTSMN1; SMN2
SCHEMBL17141437 0.75 POLB (0.43) POLBTDP1KDM4EALDH1A1MAPT
SCHEMBL6742273 0.75 TDP1 (0.66) POLBTDP1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474602-A Substituted pyridyl compounds, herbicidal compositions and method of use THE DOW CHEMICAL COMPANY (US) 1984-10-02 US disclosed