SCHEMBL364487

SCHEMBL364487

CCNC(=O)c1ccc(C(C/C(=N\O)c2c[nH]c(=O)c(C)c2)c2ccccc2Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
GPBAR1 Q8TDU6 3/20 0.34
F9 P00740 4/20 0.34
MCL1 Q07820 1/20 0.33
PPARG P37231 1/20 0.32
HSD17B2 P37059 1/20 0.32
CTSA P10619 4/20 0.32
KMT2A Q03164 2/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
NTRK1 P04629 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL363071 0.92 BRD4 (0.37) BRD4GPBAR1F9MCL1PPARG
SCHEMBL364524 0.91 PTGS2 (0.36) BRD4GPBAR1F9CTSA
SCHEMBL361665 0.88 HPGD (0.37) BRD4GPBAR1
SCHEMBL362599 0.86 BRD4 (0.40) BRD4GPBAR1
SCHEMBL362147 0.86 MET (0.34) BRD4GPBAR1F9NTRK1
SCHEMBL363606 0.86 GPBAR1 (0.35) BRD4GPBAR1
SCHEMBL364618 0.85 MET (0.42) BRD4GPBAR1NTRK1
SCHEMBL361844 0.84 GPBAR1 (0.44) BRD4GPBAR1F9CTSAS1PR1
SCHEMBL364504 0.83 GPBAR1 (0.40) BRD4GPBAR1F9CTSAKMT2A
SCHEMBL369846 0.82 BRD4 (0.40) BRD4GPBAR1F9CTSAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed