SCHEMBL3241773

SCHEMBL3241773

Nc1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NGFR P08138 1/20 0.49
PARP1 P09874 3/20 0.46
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3250737 0.90 CYP1A2 (0.41) NGFRPARP1HSD17B10CYP1A2F7
SCHEMBL3247597 0.87 MCL1 (0.46) NGFRPARP1HSD17B10CYP1A2KDM4E
SCHEMBL3249253 0.84 PLA2G1B (0.37) NGFRPARP1HSD17B10CYP1A2HPGD
SCHEMBL3251991 0.84 KDM4E (0.58) HSD17B10CYP1A2HPGDF7F3
SCHEMBL3247734 0.84 CYP1A2 (0.45) HSD17B10CYP1A2CYP2C19F7F3
SCHEMBL3243089 0.84 CYP1A2 (0.45) PARP1HSD17B10CYP1A2F7F3
SCHEMBL3245019 0.82 CA1 (0.44) HSD17B10CYP1A2CA12CA9HPGD
SCHEMBL3254754 0.82 GABRA1 (0.47) HSD17B10CYP1A2HPGDCYP2C19KDM4E
SCHEMBL3245050 0.82 PARP1 (0.44) PARP1HSD17B10CYP1A2HPGDF7
SCHEMBL3249304 0.82 NR4A2 (0.48) PARP1HSD17B10CYP1A2KDM4ETDP1

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