SCHEMBL10694761

SCHEMBL10694761

CS(=O)(=O)c1ccc2[nH]c(=O)c(-c3nnn[nH]3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.38
NPBWR1 P48145 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
SCD O00767 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARG Q86W56 1/20 0.36
BRD4 O60885 1/20 0.35
CBFB Q13951 1/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
FADS1 O60427 1/20 0.34

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
SCHEMBL10690924 0.90 NPBWR1 (0.40) KDRNPBWR1PDGFRBFGFR1SCD
SCHEMBL7506795 0.80 ALDH1A1 (0.51) KDRPDGFRBKDM4EALDH1A1MAPT
SCHEMBL10691644 0.79 DAO (0.50) KDRPDGFRBFGFR1CDK5CDK5R1
SCHEMBL7503986 0.79 IDH1 (0.43) KDRPDGFRBFGFR1KDM4EALDH1A1
SCHEMBL7499608 0.77 KDR (0.60) KDRPDGFRBFGFR1KDM4EALDH1A1
Water SCHEMBL10691885 0.76 KDM4E (0.42) KDRPDGFRBFGFR1KDM4EALDH1A1
SCHEMBL7507967 0.75 KDR (0.43) KDRKDM4EALDH1A1MAPTHPGD
SCHEMBL7507959 0.73 KDR (0.43) KDRKDM4EALDH1A1MAPTHPGD
SCHEMBL10691865 0.73 GRIN2D (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL10804501 0.71 ALDH1A1 (0.35) NPBWR1KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US disclosed
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP disclosed