SCHEMBL3952803

SCHEMBL3952803

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCc4cccc(F)c4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.51
BRD4 O60885 1/20 0.49
BACE1 P56817 2/20 0.47
IKBKB O14920 1/20 0.42
MAPT P10636 2/20 0.41
LIMK2 P53671 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.39
NAMPT P43490 1/20 0.38
UQCRB P14927 1/20 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
SCHEMBL3942021 0.93 BRD4 (0.54) SERPINE1BRD4IKBKBMAPTHSP90AA1
SCHEMBL3943068 0.92 SERPINE1 (0.50) SERPINE1BRD4BACE1IKBKBMAPT
SCHEMBL3947603 0.91 SERPINE1 (0.51) SERPINE1BRD4BACE1IKBKBMAPT
SCHEMBL3942065 0.89 BRD4 (0.51) SERPINE1BRD4IKBKBMAPTHSP90AA1
SCHEMBL3945872 0.88 BRD4 (0.50) SERPINE1BRD4HSP90AA1HSP90AB1ALDH1A1
SCHEMBL3947002 0.88 BRD4 (0.49) SERPINE1BRD4IKBKBMAPTLIMK2
SCHEMBL3942696 0.87 NAMPT (0.49) SERPINE1BRD4NAMPT
SCHEMBL3952224 0.87 BRD4 (0.49) SERPINE1BRD4BACE1MAPTHSP90AA1
SCHEMBL3950703 0.87 SERPINE1 (0.53) SERPINE1BRD4BACE1IKBKBMAPT
SCHEMBL3944908 0.87 SERPINE1 (0.52) SERPINE1BRD4IKBKBMAPTHSP90AA1

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