SCHEMBL3249048

SCHEMBL3249048

COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.54
BRD4 O60885 1/20 0.52
TP53 P04637 6/20 0.50
MAPT P10636 6/20 0.50
LMNA P02545 3/20 0.50
THRB P10828 1/20 0.50
BACE1 P56817 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 4/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
GFER P55789 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL3255249 0.94 BRD4 (0.60) POLBBRD4TP53MAPTLMNA
SCHEMBL3244659 0.90 POLB (0.57) POLBBRD4TP53MAPTLMNA
SCHEMBL3251084 0.89 MAPT (0.50) POLBTP53MAPTLMNAMEN1
SCHEMBL3250865 0.88 HSD17B10 (0.50) POLBBRD4TP53MAPTLMNA
SCHEMBL3247955 0.88 PKM (0.54) POLBBRD4TP53MAPTMEN1
SCHEMBL3254470 0.88 PKM (0.53) POLBBRD4TP53MAPTTHRB
SCHEMBL3245585 0.88 BRD4 (0.50) POLBBRD4TP53MAPTLMNA
SCHEMBL3249991 0.87 BRD4 (0.50) POLBBRD4TP53MAPTGAA
SCHEMBL3250653 0.87 POLB (0.57) POLBBRD4TP53MAPTBACE1
SCHEMBL3251303 0.87 PDE3A (0.45) POLBBRD4TP53MAPTGAA

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