SCHEMBL3943068

SCHEMBL3943068

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCc4ccc(F)cc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.50
BRD4 O60885 1/20 0.50
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
MOGAT2 Q3SYC2 1/20 0.41
GFER P55789 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
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
IKBKB O14920 1/20 0.40
CACNA1G O43497 1/20 0.40
BACE1 P56817 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
SCHEMBL3942021 0.94 BRD4 (0.54) SERPINE1BRD4LMNAALDH1A1MEN1
SCHEMBL3942065 0.93 BRD4 (0.51) SERPINE1BRD4LMNAALDH1A1MEN1
SCHEMBL3952803 0.92 SERPINE1 (0.51) SERPINE1BRD4LMNAALDH1A1MEN1
SCHEMBL3952224 0.92 BRD4 (0.49) SERPINE1BRD4MEN1KMT2AMAPT
SCHEMBL3945872 0.91 BRD4 (0.50) SERPINE1BRD4LMNAALDH1A1HSP90AA1
SCHEMBL3942384 0.90 BRD4 (0.52) SERPINE1BRD4LMNAALDH1A1MEN1
SCHEMBL3943427 0.88 BRD4 (0.49) SERPINE1BRD4ALDH1A1MEN1KMT2A
SCHEMBL3947603 0.88 SERPINE1 (0.51) SERPINE1BRD4ALDH1A1MEN1KMT2A
SCHEMBL3943939 0.87 BRD4 (0.51) SERPINE1BRD4ALDH1A1MEN1KMT2A
SCHEMBL3942696 0.87 NAMPT (0.49) SERPINE1BRD4

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