SCHEMBL9747665

SCHEMBL9747665

CC(=O)Nc1ccc2c(S(C)(=O)=O)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
CASP6 P55212 1/20 0.51
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
PRMT3 O60678 1/20 0.47
EP300 Q09472 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT1 Q99873 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
ENPP2 Q13822 1/20 0.45
FABP7 O15540 1/20 0.45
FABP3 P05413 1/20 0.45
FABP5 Q01469 1/20 0.45
KLK7 P49862 1/20 0.44

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
SCHEMBL8784533 0.90 CASP6 (0.59) ALDH1A1CASP6HSD17B1HSD17B2PRMT3
SCHEMBL4480977 0.87 CASP6 (0.50) ALDH1A1CASP6HSD17B1HSD17B2PRMT3
SCHEMBL10390889 0.79 ENPP2 (0.51) ALDH1A1CASP6HSD17B1HSD17B2PRMT3
SCHEMBL4474391 0.79 NSD2 (0.49) ALDH1A1
SCHEMBL29963136 0.78 HSD17B1 (0.76) ALDH1A1CASP6HSD17B1HSD17B2CYP1A2
SCHEMBL19355161 0.78 HSD17B1 (0.55) ALDH1A1CASP6HSD17B1HSD17B2CYP1A2
SCHEMBL1122275 0.78 HSD17B1 (0.76) ALDH1A1CASP6HSD17B1HSD17B2CYP1A2
SCHEMBL11900180 0.78 CASP6 (0.68) ALDH1A1CASP6HSD17B1HSD17B2CYP1A2
SCHEMBL1807568 0.78 HSD17B1 (0.55) ALDH1A1CASP6HSD17B1HSD17B2CYP1A2
SCHEMBL8784680 0.78 ENPP2 (0.50) ALDH1A1CASP6HSD17B1HSD17B2PRMT3

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
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed