SCHEMBL3940667

SCHEMBL3940667

Cc1cccc(NC(=O)Oc2[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
SERPINE1 P05121 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
UQCRB P14927 1/20 0.39
PTPN5 P54829 1/20 0.39
AURKA O14965 4/20 0.39
AURKB Q96GD4 3/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL3946458 0.89 BRD4 (0.49) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3945365 0.88 BRD4 (0.55) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3951295 0.87 BRD4 (0.52) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3949913 0.87 BRD4 (0.50) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3940622 0.87 BRD4 (0.50) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3941927 0.86 BRD4 (0.48) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3952066 0.86 BRD4 (0.48) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL4033646 0.86 BRD4 (0.51) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3947998 0.86 BRD4 (0.52) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3952220 0.85 BRD4 (0.47) BRD4SERPINE1ALDH1A1MEN1CYP1A2

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-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