SCHEMBL3945673

SCHEMBL3945673

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.52
BRD4 O60885 3/20 0.50
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN5 P54829 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HIF1A Q16665 1/20 0.40
IKBKB O14920 1/20 0.39
UQCRB P14927 1/20 0.39
NR1I2 O75469 1/20 0.39
HSD17B2 P37059 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL4761303 0.95 SERPINE1 (0.46) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3940619 0.92 SERPINE1 (0.49) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3945425 0.90 SERPINE1 (0.48) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3948680 0.90 BRD4 (0.49) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3945864 0.89 BRD4 (0.52) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3942147 0.89 BRD4 (0.52) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3942021 0.89 BRD4 (0.54) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3943939 0.88 BRD4 (0.51) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3941848 0.88 BRD4 (0.51) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3948702 0.87 BRD4 (0.50) SERPINE1BRD4MEN1ALDH1A1KMT2A

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