SCHEMBL3944472

SCHEMBL3944472

Cc1cnccc1NC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
SERPINE1 P05121 1/20 0.43
IMPDH2 P12268 1/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTPN5 P54829 1/20 0.38
AURKA O14965 5/20 0.38
AURKB Q96GD4 4/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL3952228 0.92 BRD4 (0.46) BRD4SERPINE1IMPDH2NAMPTALDH1A1
SCHEMBL3940627 0.92 BRD4 (0.46) BRD4SERPINE1IMPDH2NAMPTALDH1A1
SCHEMBL4033646 0.89 BRD4 (0.51) BRD4SERPINE1IMPDH2NAMPTALDH1A1
SCHEMBL3944718 0.89 NAMPT (0.54) BRD4SERPINE1IMPDH2NAMPTALDH1A1
SCHEMBL3942628 0.87 BRD4 (0.47) BRD4SERPINE1IMPDH2NAMPTALDH1A1
SCHEMBL4125286 0.87 BRD4 (0.49) BRD4SERPINE1IMPDH2NAMPTALDH1A1
SCHEMBL3945365 0.86 BRD4 (0.55) BRD4SERPINE1NAMPTALDH1A1POLB
SCHEMBL3951295 0.86 BRD4 (0.52) BRD4SERPINE1ALDH1A1POLBNPSR1
SCHEMBL3952979 0.86 BRD4 (0.47) BRD4SERPINE1IMPDH2NAMPTALDH1A1
SCHEMBL3944931 0.85 BRD4 (0.50) BRD4SERPINE1ALDH1A1POLBNPSR1

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