SCHEMBL3948680

SCHEMBL3948680

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
SERPINE1 P05121 1/20 0.47
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN5 P54829 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HIF1A Q16665 1/20 0.40
IKBKB O14920 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
SCHEMBL3942147 0.91 BRD4 (0.52) BRD4SERPINE1MAPTTP53MEN1
SCHEMBL3945864 0.91 BRD4 (0.52) BRD4SERPINE1MAPTMEN1KMT2A
SCHEMBL3941848 0.90 BRD4 (0.51) BRD4SERPINE1MAPTMEN1KMT2A
SCHEMBL3948702 0.90 BRD4 (0.50) BRD4SERPINE1MEN1KMT2APOLB
SCHEMBL3944908 0.90 SERPINE1 (0.52) BRD4SERPINE1MAPTMEN1KMT2A
SCHEMBL3945673 0.90 SERPINE1 (0.52) BRD4SERPINE1MAPTMEN1KMT2A
SCHEMBL3943877 0.89 BRD4 (0.47) BRD4SERPINE1MAPTMEN1KMT2A
SCHEMBL3943406 0.89 BRD4 (0.49) BRD4SERPINE1MAPTMEN1KMT2A
SCHEMBL3946251 0.89 BRD4 (0.49) BRD4SERPINE1MAPTTP53MEN1
SCHEMBL3944092 0.89 BRD4 (0.49) BRD4SERPINE1MEN1KMT2APOLB

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