SCHEMBL3944932

SCHEMBL3944932

COc1ccc(NC(=O)Oc2[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.51
SERPINE1 P05121 1/20 0.49
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
GFER P55789 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL3945365 0.94 BRD4 (0.55) BRD4SERPINE1AURKAAURKBMEN1
SCHEMBL3951022 0.93 BRD4 (0.49) BRD4SERPINE1AURKAAURKBMEN1
SCHEMBL3951295 0.92 BRD4 (0.52) BRD4SERPINE1AURKAAURKBMEN1
SCHEMBL3947998 0.92 BRD4 (0.52) BRD4SERPINE1MEN1KMT2APOLB
SCHEMBL3943378 0.91 BRD4 (0.52) BRD4SERPINE1MEN1KMT2APOLB
SCHEMBL3942384 0.91 BRD4 (0.52) BRD4SERPINE1AURKAAURKBMEN1
SCHEMBL3944674 0.91 BRD4 (0.52) BRD4SERPINE1MEN1KMT2APOLB
SCHEMBL4033646 0.90 BRD4 (0.51) BRD4SERPINE1AURKAAURKBMEN1
SCHEMBL3952224 0.90 BRD4 (0.49) BRD4SERPINE1AURKAAURKBMEN1
SCHEMBL3945403 0.89 BRD4 (0.50) BRD4SERPINE1MEN1KMT2APOLB

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-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP claimed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO claimed
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP disclosed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed