SCHEMBL3248975

SCHEMBL3248975

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
BRD4 O60885 5/20 0.48
ESR1 P03372 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
GFER P55789 1/20 0.43
BRAF P15056 1/20 0.43
HTR6 P50406 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
HSD17B3 P37058 1/20 0.41
HSD17B2 P37059 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
SCHEMBL3250653 0.94 POLB (0.57) POLBBRD4MEN1KMT2AGAA
SCHEMBL3249236 0.91 BRD4 (0.60) POLBBRD4HTR6
SCHEMBL3245598 0.90 BRD4 (0.48) POLBBRD4ESR1MEN1KMT2A
SCHEMBL3248780 0.90 BRD4 (0.58) BRD4ESR1GAAPKMHTR6
SCHEMBL3246043 0.90 BRD4 (0.48) POLBBRD4ESR1MEN1KMT2A
SCHEMBL3251476 0.89 BRD4 (0.48) POLBBRD4KMT2AHTR6PTGDR2
SCHEMBL3248608 0.88 POLB (0.46) POLBBRD4MEN1KMT2AGAA
SCHEMBL3249243 0.88 MEN1 (0.55) BRD4MEN1KMT2AGAAPKM
SCHEMBL3251041 0.88 MAPT (0.50) BRD4MEN1KMT2AGAAHTR6
SCHEMBL3244485 0.88 POLB (0.47) POLBBRD4KMT2AGAAPKM

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-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