SCHEMBL3945872

SCHEMBL3945872

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCc4ccncc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
SERPINE1 P05121 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 9/20 0.45
IMPDH2 P12268 1/20 0.43
NPC1 O15118 1/20 0.43
EPHX1 P07099 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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) BRD4SERPINE1ALDH1A1LMNAPOLB
SCHEMBL3942696 0.92 NAMPT (0.49) BRD4SERPINE1TDP1NAMPT
SCHEMBL3942065 0.92 BRD4 (0.51) BRD4SERPINE1ALDH1A1TDP1LMNA
SCHEMBL3943068 0.91 SERPINE1 (0.50) BRD4SERPINE1ALDH1A1LMNAPOLB
SCHEMBL3952224 0.90 BRD4 (0.49) BRD4SERPINE1POLBSMN1; SMN2NAMPT
SCHEMBL4033646 0.89 BRD4 (0.51) BRD4SERPINE1ALDH1A1TDP1LMNA
SCHEMBL3945155 0.89 BRD4 (0.47) BRD4SERPINE1ALDH1A1LMNAPOLB
SCHEMBL3952803 0.88 SERPINE1 (0.51) BRD4SERPINE1ALDH1A1LMNAPOLB
SCHEMBL3943427 0.88 BRD4 (0.49) BRD4SERPINE1ALDH1A1POLBNPSR1
SCHEMBL3947603 0.88 SERPINE1 (0.51) BRD4SERPINE1ALDH1A1POLBHTT

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