SCHEMBL3245598

SCHEMBL3245598

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3c12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.48
POLB P06746 1/20 0.45
ESR1 P03372 1/20 0.44
HTR6 P50406 4/20 0.42
ITGA1 P56199 1/20 0.41
CASP6 P55212 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B2 P37059 1/20 0.40

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
SCHEMBL3249236 0.91 BRD4 (0.60) BRD4POLBHTR6
SCHEMBL3246043 0.90 BRD4 (0.48) BRD4POLBESR1HTR6MEN1
SCHEMBL3248975 0.90 POLB (0.49) BRD4POLBESR1HTR6MEN1
SCHEMBL3248780 0.90 BRD4 (0.58) BRD4ESR1HTR6
SCHEMBL3251041 0.88 MAPT (0.50) BRD4HTR6MEN1RAB9AKMT2A
SCHEMBL3249243 0.88 MEN1 (0.55) BRD4HTR6MEN1RAB9AKMT2A
SCHEMBL3255249 0.87 BRD4 (0.60) BRD4POLBESR1HTR6MEN1
SCHEMBL3242688 0.87 BRD4 (0.60) BRD4POLBHTR6MEN1KMT2A
SCHEMBL3241721 0.87 MAPT (0.53) BRD4MEN1KMT2A
SCHEMBL3251174 0.86 HIF1A (0.52) BRD4POLBMEN1KMT2A

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