SCHEMBL3944718

SCHEMBL3944718

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4cccnc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.54
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BRD4 O60885 1/20 0.49
SERPINE1 P05121 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC2A1 P11166 1/20 0.44
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
AURKA O14965 4/20 0.41
AURKB Q96GD4 3/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL3945365 0.92 BRD4 (0.55) NAMPTALDH1A1POLBBRD4SERPINE1
SCHEMBL4033646 0.91 BRD4 (0.51) NAMPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3942628 0.89 BRD4 (0.47) NAMPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3944472 0.89 BRD4 (0.47) NAMPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3952228 0.88 BRD4 (0.46) NAMPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3940627 0.88 BRD4 (0.46) NAMPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3942696 0.88 NAMPT (0.49) NAMPTBRD4SERPINE1
SCHEMBL3947998 0.88 BRD4 (0.52) ALDH1A1POLBSMN1; SMN2BRD4SERPINE1
SCHEMBL3951295 0.88 BRD4 (0.52) ALDH1A1POLBHTTSMN1; SMN2BRD4
SCHEMBL3951011 0.88 ALDH1A1 (0.50) NAMPTALDH1A1POLBHTTSMN1; SMN2

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