SCHEMBL3943767

SCHEMBL3943767

Cc1cnc(CNC(=O)Oc2[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2-c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
SERPINE1 P05121 1/20 0.44
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 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
HIF1A Q16665 1/20 0.38
HTR6 P50406 2/20 0.37
NR1I2 O75469 1/20 0.37
PTPN5 P54829 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL3945155 0.89 BRD4 (0.47) BRD4SERPINE1KMT2APOLBCYP1A2
SCHEMBL3951021 0.87 BRD4 (0.47) BRD4SERPINE1KMT2APOLBCYP1A2
SCHEMBL3942021 0.87 BRD4 (0.54) BRD4SERPINE1KMT2APOLBCYP1A2
SCHEMBL3942065 0.86 BRD4 (0.51) BRD4SERPINE1KMT2APOLBCYP1A2
SCHEMBL3945872 0.85 BRD4 (0.50) BRD4SERPINE1POLBALDH1A1NPSR1
SCHEMBL3942696 0.85 NAMPT (0.49) BRD4SERPINE1
SCHEMBL3945422 0.84 BRD4 (0.47) BRD4SERPINE1KMT2APOLBCYP1A2
SCHEMBL3942195 0.84 BRD4 (0.47) BRD4SERPINE1KMT2APOLBCYP1A2
SCHEMBL3945864 0.84 BRD4 (0.52) BRD4SERPINE1KMT2APOLBCYP1A2
SCHEMBL3942147 0.84 BRD4 (0.52) BRD4SERPINE1KMT2APOLBCYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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