SCHEMBL3944142

SCHEMBL3944142

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCc4cccs4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
SERPINE1 P05121 1/20 0.45
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HIF1A Q16665 1/20 0.39
PTPN5 P54829 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MMP12 P39900 3/20 0.37
MMP13 P45452 3/20 0.37
HTR6 P50406 2/20 0.36
IKBKB O14920 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3942195 0.93 BRD4 (0.47) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3944908 0.89 SERPINE1 (0.52) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3941848 0.89 BRD4 (0.51) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3942147 0.88 BRD4 (0.52) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3945864 0.88 BRD4 (0.52) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3952245 0.87 BRD4 (0.48) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3943906 0.87 SERPINE1 (0.48) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3944503 0.86 SERPINE1 (0.51) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3948702 0.86 BRD4 (0.50) BRD4SERPINE1MEN1ALDH1A1CYP1A2
SCHEMBL3942619 0.86 SERPINE1 (0.49) BRD4SERPINE1POLBMAPTRAB9A

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