SCHEMBL3942800

SCHEMBL3942800

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.41
BRD4 O60885 3/20 0.41
AR P10275 1/20 0.41
BRPF1 P55201 2/20 0.40
BRD1 O95696 1/20 0.40
ACLY P53396 1/20 0.40
KDM1A O60341 1/20 0.40
PADI4 Q9UM07 1/20 0.40
HTR6 P50406 2/20 0.39
CYP19A1 P11511 1/20 0.39
SMARCA2 P51531 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCR2 P25025 1/20 0.38
PLA2G7 Q13093 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
SCHEMBL3942914 0.90 HTR6 (0.41) BRD4HTR6
SCHEMBL3942093 0.89 MEN1 (0.42) BRD4HTR6MEN1KMT2A
SCHEMBL3942147 0.88 BRD4 (0.52) BRD4HTR6MEN1KMT2A
SCHEMBL3948051 0.87 GPR27 (0.46) ATICBRD4ARBRPF1BRD1
SCHEMBL3943255 0.86 CA1 (0.48) ATICBRD4BRPF1KDM1APADI4
SCHEMBL3952131 0.85 SERPINE1 (0.51) BRD4HTR6
SCHEMBL3946690 0.84 BRD4 (0.49) ATICBRD4BRPF1BRD1ACLY
SCHEMBL3950711 0.82 HSD11B1 (0.48) ATICBRD4ARKDM1AKMT2A
SCHEMBL4034688 0.82 BRD4 (0.43) BRD4PADI4CYP19A1
SCHEMBL3945864 0.81 BRD4 (0.52) BRD4HTR6MEN1KMT2A

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-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