SCHEMBL3245050

SCHEMBL3245050

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
HSD17B10 Q99714 3/20 0.43
KIF11 P52732 1/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SLC2A1 P11166 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERBB2 P04626 3/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PTK6 Q13882 2/20 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
SCHEMBL3244728 0.85 KDM4E (0.41) PARP1HSD17B10CYP1A2KDM4EALDH1A1
SCHEMBL14623812 0.84 PARP1 (0.48) PARP1HSD17B10KIF11HTR1AHTR1D
SCHEMBL3249171 0.84 CHEK1 (0.51) HSD17B10CYP1A2KDM4EALDH1A1HPGD
SCHEMBL3248408 0.84 KDM4E (0.42) PARP1HSD17B10CYP1A2KDM4EALDH1A1
SCHEMBL3255989 0.84 PARP1 (0.47) PARP1HSD17B10CYP1A2KDM4EALDH1A1
SCHEMBL3244737 0.83 ALDH1A1 (0.56) PARP1HSD17B10CYP1A2KDM4EALDH1A1
SCHEMBL3251041 0.82 MAPT (0.50) ALDH1A1HPGDMEN1TP53KMT2A
SCHEMBL3244481 0.82 MAPT (0.39) HSD17B10CYP1A2ALDH1A1HPGDMEN1
SCHEMBL3244473 0.82 MAPT (0.39) HSD17B10CYP1A2ALDH1A1HPGDMEN1
SCHEMBL3241773 0.82 NGFR (0.49) PARP1HSD17B10CYP1A2KDM4EALDH1A1

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