SCHEMBL3250871

SCHEMBL3250871

CS(=O)(=O)Nc1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.40
SPR P35270 1/20 0.40
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NEK1 Q96PY6 1/20 0.39
PADI4 Q9UM07 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
CHEK1 O14757 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL3244339 0.89 BRD4 (0.42) BRD4CYP1A2PADI4
SCHEMBL3250224 0.86 CYP1A2 (0.42) BRD4CYP1A2HSD17B10CHEK1
SCHEMBL3242527 0.86 CYP1A2 (0.37) BRD4CYP1A2HSD17B10CHEK1
SCHEMBL3249236 0.86 BRD4 (0.60) BRD4HTR6
SCHEMBL3253196 0.85 MMP2 (0.53) BRD4SPRCYP1A2HSD17B10MMP2
SCHEMBL3246043 0.85 BRD4 (0.48) BRD4HTR6
SCHEMBL3249171 0.84 CHEK1 (0.51) BRD4CYP1A2HSD17B10CHEK1
SCHEMBL3251041 0.84 MAPT (0.50) BRD4HTR6
SCHEMBL3249243 0.84 MEN1 (0.55) BRD4HTR6
SCHEMBL3248975 0.83 POLB (0.49) BRD4HSD17B10HTR6

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