SCHEMBL3947002

SCHEMBL3947002

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4cccc(F)c4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
SERPINE1 P05121 1/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AURKA O14965 8/20 0.43
AURKB Q96GD4 6/20 0.43
UQCRB P14927 1/20 0.43
IKBKB O14920 1/20 0.41
PTPN5 P54829 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
IDH2 P48735 1/20 0.40
LIMK2 P53671 1/20 0.40

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
SCHEMBL3942384 0.93 BRD4 (0.52) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3945365 0.93 BRD4 (0.55) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3952303 0.91 BRD4 (0.49) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3951022 0.90 BRD4 (0.49) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3947998 0.89 BRD4 (0.52) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3951295 0.89 BRD4 (0.52) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3948167 0.88 BRD4 (0.50) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3943378 0.88 BRD4 (0.52) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3944674 0.88 BRD4 (0.52) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3952803 0.88 SERPINE1 (0.51) BRD4SERPINE1MEN1ALDH1A1CYP1A2

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