SCHEMBL3245019

SCHEMBL3245019

NS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAPT P10636 2/20 0.43
BRAF P15056 2/20 0.43
CDK1 P06493 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA2 P20248 1/20 0.42
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3249438 0.89 PTPN11 (0.45) MAPTCDK1CDK2HSD17B10CYP1A2
SCHEMBL4169304 0.88 HSD17B10 (0.41) MAPTHSD17B10CYP1A2GAAHPGD
SCHEMBL3248232 0.85 HSD17B10 (0.47) MAPTHSD17B10CYP1A2GAAHPGD
SCHEMBL3252130 0.85 TAS2R14 (0.50) MAPTHSD17B10CYP1A2GAAHPGD
SCHEMBL3244720 0.83 GABRA1 (0.44) CA1CA2MAPTCDK1CDK2
SCHEMBL3241773 0.82 NGFR (0.49) MAPTCA12CA9HSD17B10CYP1A2
SCHEMBL3254470 0.82 PKM (0.53) MAPTBRAFGAA
SCHEMBL3247788 0.82 DAO (0.46) MAPTHSD17B10CYP1A2GAAHPGD
SCHEMBL3247163 0.82 GAA (0.55) MAPTHSD17B10GAAHPGDCYP2C19
SCHEMBL3251303 0.82 PDE3A (0.45) MAPTBRAFHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed