SCHEMBL3940672

SCHEMBL3940672

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4ccc(Cl)cn4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
SERPINE1 P05121 1/20 0.45
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 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
GPR27 Q9NS67 1/20 0.39
RAD51 Q06609 1/20 0.39
PTPN5 P54829 1/20 0.38
NR1I2 O75469 1/20 0.38
CCR9 P51686 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 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
SCHEMBL3944674 0.90 BRD4 (0.52) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3952042 0.90 BRD4 (0.46) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3946458 0.89 BRD4 (0.49) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3942628 0.87 BRD4 (0.47) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3951435 0.87 BRD4 (0.49) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3940622 0.87 BRD4 (0.50) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3945365 0.86 BRD4 (0.55) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3952303 0.86 BRD4 (0.49) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3944931 0.85 BRD4 (0.50) BRD4SERPINE1POLBMEN1KMT2A
SCHEMBL3940667 0.85 BRD4 (0.48) BRD4SERPINE1POLBMEN1KMT2A

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