SCHEMBL9688748

SCHEMBL9688748

NS(=O)(=O)c1cc(-n2cccc2)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
POLB P06746 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C9 P11712 1/20 0.44
MCL1 Q07820 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42

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
SCHEMBL8811246 0.82 CA2 (0.57) HSD17B10POLBKDM4EALDH1A1HPGD
SCHEMBL15714465 0.78 ALDH1A1 (1.00) HSD17B10POLBKDM4EALDH1A1HPGD
SCHEMBL130491 0.75 KDM4E (0.74) HSD17B10POLBKDM4EALDH1A1HPGD
SCHEMBL16369640 0.74 ALDH1A1 (0.62) HSD17B10POLBKDM4EALDH1A1HPGD
SCHEMBL3140547 0.73 ALDH1A1 (0.67) HSD17B10POLBKDM4EALDH1A1HPGD
SCHEMBL1786657 0.73 POLB (0.62) HSD17B10POLBKDM4EALDH1A1HPGD
SCHEMBL9661958 0.73 PKM (0.60) HSD17B10POLBKDM4EALDH1A1CYP2C9
SCHEMBL7538066 0.73 CA2 (0.53) HSD17B10KDM4EALDH1A1HPGDCYP2C9
SCHEMBL1725851 0.71 CSNK2A1 (0.53) HSD17B10POLBKDM4EALDH1A1HPGD
SCHEMBL10743411 0.71 CA1 (0.56) HSD17B10KDM4EALDH1A1HPGDCYP2C9

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-5127937-A N-SUBSTITUTED-3-(NITROGEN-CONTAINING 5-MEMBERED RING)-BENZENESULFONAMIDE DERIVATIVES, AND HERBICIDAL COMPOSITIONS KUREHA KAGAKU KOGYO K.K. (JP) 1992-07-07 US disclosed