SCHEMBL3248780

SCHEMBL3248780

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.58
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
WDR5 P61964 1/20 0.45
ESR1 P03372 1/20 0.44
ATIC P31939 1/20 0.42
HTR6 P50406 1/20 0.42
PKM P14618 1/20 0.41
CES1 P23141 1/20 0.41
PRSS12 P56730 1/20 0.41
METAP2 P50579 1/20 0.41

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
SCHEMBL3249991 0.94 BRD4 (0.50) BRD4GAAMAPTWDR5PKM
SCHEMBL3249236 0.91 BRD4 (0.60) BRD4MAPTHTR6
SCHEMBL3246043 0.90 BRD4 (0.48) BRD4GAAMAPTESR1HTR6
SCHEMBL3245598 0.90 BRD4 (0.48) BRD4ESR1HTR6
SCHEMBL3248975 0.90 POLB (0.49) BRD4GAAESR1HTR6PKM
SCHEMBL3251641 0.89 BRD4 (0.61) BRD4MAPTHTR6PKM
SCHEMBL3251041 0.88 MAPT (0.50) BRD4GAAMAPTHTR6
SCHEMBL3249243 0.88 MEN1 (0.55) BRD4GAAMAPTHTR6PKM
SCHEMBL3241721 0.87 MAPT (0.53) BRD4MAPTPKM
SCHEMBL3255249 0.87 BRD4 (0.60) BRD4GAAMAPTESR1HTR6

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