SCHEMBL3944674

SCHEMBL3944674

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4ccc(Cl)cc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.52
SERPINE1 P05121 2/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTPN5 P54829 1/20 0.42
IDH1 O75874 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
UQCRB P14927 1/20 0.40
GPR27 Q9NS67 2/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL3945365 0.95 BRD4 (0.55) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL3952303 0.93 BRD4 (0.49) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL3951295 0.92 BRD4 (0.52) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL3947998 0.92 BRD4 (0.52) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL3940622 0.92 BRD4 (0.50) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL3942384 0.92 BRD4 (0.52) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL3943378 0.92 BRD4 (0.52) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL4033646 0.91 BRD4 (0.51) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL3944932 0.91 BRD4 (0.51) BRD4SERPINE1MEN1KMT2AALDH1A1
SCHEMBL3943804 0.90 BRD4 (0.50) BRD4SERPINE1MEN1KMT2AALDH1A1

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