SCHEMBL11219752

SCHEMBL11219752

Nc1cc(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.66
ALDH1A1 P00352 2/20 0.66
PTGS2 P35354 4/20 0.58
PTGS1 P23219 4/20 0.58
PHLPP2 Q6ZVD8 4/20 0.57
POLB P06746 1/20 0.56
CYP2D6 P10635 1/20 0.56
RPS6KA3 P51812 1/20 0.55
CA12 O43570 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CA1 P00915 1/20 0.53
CYP2C9 P11712 3/20 0.51
SUMO2 P61956 1/20 0.50
SUMO1 P63165 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP2 Q9HC62 1/20 0.50
CA7 P43166 1/20 0.50

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
SCHEMBL11578943 1.00 HSD17B10 (0.66) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL11649642 0.87 PTGS1 (0.58) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL10935481 0.86 ALDH1A1 (0.60) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL11216562 0.86 ALDH1A1 (0.60) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL4280752 0.84 PTGS1 (0.74) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL8844886 0.80 PTGS2 (0.77) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL110924 0.80 SENP2 (0.60) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL1436156 0.80 SENP2 (0.60) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL8844893 0.80 PTGS2 (0.77) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2
SCHEMBL7813050 0.80 RPS6KA3 (0.63) HSD17B10ALDH1A1PTGS2PTGS1PHLPP2

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-4331596-A Arylazoarylazo-substituted azo, azomethine 1:2 chromium complex dyes CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed