SCHEMBL3251990

SCHEMBL3251990

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)Cc4ccccc4)cc3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.62
CYP19A1 P11511 1/20 0.48
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
BRAF P15056 1/20 0.41
ACLY P53396 1/20 0.41
HTR4 Q13639 1/20 0.40
HDAC1 Q13547 1/20 0.39
SGK1 O00141 1/20 0.39
ALOX15 P16050 1/20 0.39
PARP14 Q460N5 1/20 0.39

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
SCHEMBL3251557 0.88 BRD4 (0.55) BRD4CYP19A1HPGDKDM4EAURKA
SCHEMBL4157612 0.85 BRD4 (0.58) BRD4CYP19A1HPGDKMT2AHSD17B10
SCHEMBL3249236 0.85 BRD4 (0.60) BRD4
SCHEMBL3250871 0.83 BRD4 (0.40) BRD4HSD17B10
SCHEMBL3247788 0.82 DAO (0.46) BRD4HPGDKMT2AHSD17B10KDM4E
SCHEMBL3249789 0.81 BRD4 (0.53) BRD4CYP19A1HPGDKMT2AHSD17B10
SCHEMBL3249069 0.80 BRD4 (0.61) BRD4HPGDKMT2AHSD17B10KDM4E
SCHEMBL3253600 0.80 BRD4 (0.46) BRD4ALDH1A1HTTAURKAAURKB
SCHEMBL3242734 0.80 BRD4 (0.41) BRD4KMT2AHSD17B10KDM4EMEN1
SCHEMBL3241818 0.80 BRD4 (0.62) BRD4KMT2AMEN1ALDH1A1GAA

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