SCHEMBL3945425

SCHEMBL3945425

CCOC(CNC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.48
BRD4 O60885 3/20 0.48
HIF1A Q16665 1/20 0.42
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
PTPN5 P54829 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
IKBKB O14920 1/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3945673 0.90 SERPINE1 (0.52) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3940619 0.88 SERPINE1 (0.49) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3942147 0.88 BRD4 (0.52) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3951630 0.88 SERPINE1 (0.49) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3942021 0.86 BRD4 (0.54) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3945864 0.86 BRD4 (0.52) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3948680 0.86 BRD4 (0.49) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3941848 0.86 BRD4 (0.51) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3943939 0.86 BRD4 (0.51) SERPINE1BRD4HIF1AMEN1ALDH1A1
SCHEMBL3947473 0.85 BRD4 (0.47) SERPINE1BRD4HIF1AMEN1ALDH1A1

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