SCHEMBL3948702

SCHEMBL3948702

COCCNC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
SERPINE1 P05121 1/20 0.48
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN5 P54829 1/20 0.41
HSD17B2 P37059 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HIF1A Q16665 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
SCHEMBL3952215 0.92 BRD4 (0.49) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL3942147 0.92 BRD4 (0.52) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL3945864 0.92 BRD4 (0.52) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL3941848 0.91 BRD4 (0.51) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL3944908 0.90 SERPINE1 (0.52) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL3946251 0.90 BRD4 (0.49) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL3948680 0.90 BRD4 (0.49) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL3943406 0.90 BRD4 (0.49) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL5198750 0.90 SERPINE1 (0.49) BRD4SERPINE1KMT2APOLBALDH1A1
SCHEMBL3944092 0.90 BRD4 (0.49) BRD4SERPINE1KMT2APOLBALDH1A1

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 3 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 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