SCHEMBL3944965

SCHEMBL3944965

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCc4cccnc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.47
BRD4 O60885 1/20 0.45
NAMPT P43490 12/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCR9 P51686 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL3942696 0.93 NAMPT (0.49) SERPINE1BRD4NAMPTTDP1
SCHEMBL3944908 0.93 SERPINE1 (0.52) SERPINE1BRD4POLBALDH1A1SMN1; SMN2
SCHEMBL3943906 0.88 SERPINE1 (0.48) SERPINE1BRD4POLBALDH1A1SMN1; SMN2
SCHEMBL3944503 0.88 SERPINE1 (0.51) SERPINE1BRD4NAMPTPOLBALDH1A1
SCHEMBL3944919 0.88 SERPINE1 (0.49) SERPINE1BRD4POLBHTTSMN1; SMN2
SCHEMBL3942648 0.88 BRD4 (0.45) SERPINE1BRD4NAMPTPOLBALDH1A1
SCHEMBL3942619 0.88 SERPINE1 (0.49) SERPINE1BRD4POLBSMN1; SMN2TDP1
SCHEMBL3951705 0.88 SERPINE1 (0.49) SERPINE1BRD4NAMPTPOLBALDH1A1
SCHEMBL3944432 0.87 BRD4 (0.46) SERPINE1BRD4POLBALDH1A1HTT
SCHEMBL3944718 0.87 NAMPT (0.54) SERPINE1BRD4NAMPTPOLBALDH1A1

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