SCHEMBL3945155

SCHEMBL3945155

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCc4ccccn4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 3/20 0.46
SERPINE1 P05121 1/20 0.46
PKM P14618 2/20 0.44
MEN1 O00255 2/20 0.42
MCL1 Q07820 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN5 P54829 1/20 0.39
NR1I2 O75469 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
SCHEMBL3944432 0.93 BRD4 (0.46) BRD4ALDH1A1HTTKMT2ASERPINE1
SCHEMBL3942021 0.89 BRD4 (0.54) BRD4ALDH1A1KMT2ASERPINE1MEN1
SCHEMBL3943767 0.89 BRD4 (0.46) BRD4ALDH1A1KMT2ASERPINE1MEN1
SCHEMBL3945872 0.89 BRD4 (0.50) BRD4ALDH1A1HTTSERPINE1LMNA
SCHEMBL3946458 0.87 BRD4 (0.49) BRD4ALDH1A1KMT2ASERPINE1MEN1
SCHEMBL3943389 0.87 ALDH1A1 (0.52) BRD4ALDH1A1HTTKMT2ASERPINE1
SCHEMBL3942696 0.87 NAMPT (0.49) BRD4SERPINE1PKM
SCHEMBL3942195 0.86 BRD4 (0.47) BRD4ALDH1A1HTTKMT2ASERPINE1
SCHEMBL3942065 0.86 BRD4 (0.51) BRD4ALDH1A1KMT2ASERPINE1MEN1
SCHEMBL3945864 0.86 BRD4 (0.52) BRD4ALDH1A1KMT2ASERPINE1MEN1

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