SCHEMBL3941693

SCHEMBL3941693

CN1CCN(NC(=O)Oc2[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2-c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
SERPINE1 P05121 1/20 0.47
HTR6 P50406 4/20 0.44
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN5 P54829 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
UQCRB P14927 1/20 0.39
NR3C1 P04150 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
SCHEMBL3942344 0.88 HTR6 (0.48) BRD4SERPINE1HTR6ALDH1A1MEN1
SCHEMBL3951514 0.87 SERPINE1 (0.45) BRD4SERPINE1HTR6ALDH1A1MEN1
SCHEMBL3947246 0.86 BRD4 (0.52) BRD4SERPINE1HTR6ALDH1A1MEN1
SCHEMBL3945365 0.86 BRD4 (0.55) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3945171 0.86 BRD4 (0.58) BRD4SERPINE1HTR6ALDH1A1MEN1
SCHEMBL3951127 0.85 SERPINE1 (0.47) BRD4SERPINE1HTR6ALDH1A1MEN1
SCHEMBL3944386 0.85 BRD4 (0.52) BRD4SERPINE1HTR6ALDH1A1MEN1
SCHEMBL3944300 0.84 SERPINE1 (0.46) BRD4SERPINE1HTR6ALDH1A1MEN1
SCHEMBL3947998 0.84 BRD4 (0.52) BRD4SERPINE1ALDH1A1MEN1CYP1A2
SCHEMBL3951295 0.84 BRD4 (0.52) BRD4SERPINE1HTR6ALDH1A1MEN1

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