SCHEMBL3244728

SCHEMBL3244728

O=C(c1ccccc1)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 2/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
UCHL1 P09936 2/20 0.38
UCHL3 P15374 1/20 0.38
TGM2 P21980 1/20 0.38
CASP3 P42574 1/20 0.38
USP5 P45974 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL3245050 0.85 PARP1 (0.44) KDM4ECYP1A2HSD17B10PARP1ALDH1A1
SCHEMBL3249741 0.85 ALDH1A1 (0.48) KDM4ECYP1A2HSD17B10PARP1ALDH1A1
SCHEMBL3249304 0.82 NR4A2 (0.48) KDM4ECYP1A2HSD17B10PARP1CSNK2A2
SCHEMBL3248408 0.82 KDM4E (0.42) KDM4ECYP1A2HSD17B10PARP1ALDH1A1
SCHEMBL3255989 0.82 PARP1 (0.47) KDM4ECYP1A2HSD17B10PARP1ALDH1A1
SCHEMBL3249100 0.82 HNF4A (0.44) KDM4ECYP1A2HSD17B10PARP1ALDH1A1
SCHEMBL3247782 0.82 KDM4E (0.54) KDM4ECYP1A2HSD17B10PARP1ALDH1A1
SCHEMBL3251105 0.81 BRD4 (0.62) KDM4ECYP1A2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3245579 0.81 KDM4E (0.44) KDM4EPARP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4159922 0.81 HPGD (0.41) KDM4EPARP1ALDH1A1RAB9ASMN1; SMN2

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