SCHEMBL3945870

SCHEMBL3945870

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)N[C@@H](CO)c4ccccc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
SERPINE1 P05121 1/20 0.47
IKBKB O14920 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN5 P54829 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HIF1A Q16665 1/20 0.39
UQCRB P14927 2/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
HSD17B2 P37059 1/20 0.37

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
SCHEMBL3944734 0.91 BRD4 (0.50) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL14282032 0.86 BRD4 (0.51) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL3950163 0.86 BRD4 (0.51) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL3944739 0.86 BRD4 (0.49) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL3951354 0.86 BRD4 (0.49) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL3952994 0.86 BRD4 (0.49) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL3940619 0.86 SERPINE1 (0.49) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL4760593 0.86 BRD4 (0.44) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL3945864 0.85 BRD4 (0.52) BRD4SERPINE1IKBKBMEN1ALDH1A1
SCHEMBL3945365 0.85 BRD4 (0.55) BRD4SERPINE1IKBKBMEN1ALDH1A1

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