SCHEMBL3249253

SCHEMBL3249253

Nc1cccc(Sc2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 2/20 0.35
NGFR P08138 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CFTR P13569 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PBRM1 Q86U86 1/20 0.33
DNA2 P51530 1/20 0.32
CASP6 P55212 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL3250776 0.90 PLA2G1B (0.41) PLA2G1BATG4BCYP1A2HSD17B10PARP1
SCHEMBL3251329 0.85 CLEC4M (0.43) CYP1A2KDM4EALDH1A1
SCHEMBL3241773 0.84 NGFR (0.49) CYP1A2HSD17B10PARP1NGFRKDM4E
SCHEMBL3247597 0.84 MCL1 (0.46) CYP1A2HSD17B10PARP1NGFRKDM4E
SCHEMBL3241804 0.83 KDR (0.44) KDM4EALDH1A1HPGDCHEK1
SCHEMBL4166819 0.83 HPGD (0.47) PLA2G1BATG4BPARP1NGFRHPGD
SCHEMBL3241779 0.80 CYP1A2 (0.40) CYP1A2HSD17B10PARP1KDM4EALDH1A1
SCHEMBL3249866 0.79 CHEK1 (0.41) CYP1A2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3250516 0.78 TUBB4A (0.36) PLA2G1BATG4BHSD17B10KDM4EALDH1A1
SCHEMBL3250737 0.78 CYP1A2 (0.41) CYP1A2HSD17B10PARP1NGFRKDM4E

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 4 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-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