SCHEMBL3945672

SCHEMBL3945672

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NC4CCCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
SERPINE1 P05121 1/20 0.46
BACE1 P56817 1/20 0.42
POLB P06746 7/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN5 P54829 1/20 0.41
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TP53 P04637 4/20 0.40
HTR6 P50406 2/20 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
SCHEMBL3951625 0.99 BRD4 (0.49) BRD4SERPINE1BACE1POLBMEN1
SCHEMBL3947292 0.99 BRD4 (0.49) BRD4SERPINE1BACE1POLBMEN1
SCHEMBL3944386 0.97 BRD4 (0.52) BRD4SERPINE1POLBMEN1ALDH1A1
SCHEMBL3944417 0.94 BRD4 (0.49) BRD4SERPINE1POLBMEN1ALDH1A1
SCHEMBL3942165 0.94 BRD4 (0.49) BRD4SERPINE1POLBMEN1ALDH1A1
SCHEMBL3947584 0.93 BRD4 (0.48) BRD4SERPINE1POLBMEN1ALDH1A1
SCHEMBL3942344 0.92 HTR6 (0.48) BRD4SERPINE1POLBMEN1ALDH1A1
SCHEMBL3951073 0.89 SERPINE1 (0.52) BRD4SERPINE1MEN1ALDH1A1KMT2A
SCHEMBL4762404 0.88 BRD4 (0.42) BRD4SERPINE1BACE1POLBMEN1
SCHEMBL3945758 0.88 BRD4 (0.47) BRD4SERPINE1POLBMEN1ALDH1A1

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