SCHEMBL3244477

SCHEMBL3244477

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(SCc4ccccc4)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.44
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
MCL1 Q07820 2/20 0.41
BCL2A1 Q16548 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MDH2 P40926 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36
CSNK2A2 P19784 1/20 0.35

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
SCHEMBL3251882 0.87 GABRA1 (0.48) DAOCYP1A2KDM4EALDH1A1HPGD
SCHEMBL3241779 0.85 CYP1A2 (0.40) MCL1BCL2A1CYP1A2HSD17B10KDM4E
SCHEMBL3250776 0.84 PLA2G1B (0.41) MCL1MAOAMAOBCYP1A2HSD17B10
SCHEMBL4153184 0.83 DAO (0.41) DAOMAOAMAOBKDM4EALDH1A1
SCHEMBL3254058 0.82 GABRA1 (0.48) DAOCYP1A2HSD17B10KDM4EALDH1A1
SCHEMBL3263920 0.80 DAO (0.38) DAOMAOAMAOBCYP1A2HSD17B10
SCHEMBL3249304 0.78 NR4A2 (0.48) MCL1CYP1A2HSD17B10KDM4EPARP1
SCHEMBL3249253 0.77 PLA2G1B (0.37) MCL1CYP1A2HSD17B10KDM4EALDH1A1
SCHEMBL3247788 0.77 DAO (0.46) DAOCYP1A2HSD17B10KDM4EALDH1A1
SCHEMBL3247782 0.77 KDM4E (0.54) CYP1A2HSD17B10KDM4EALDH1A1HPGD

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