SCHEMBL361665

SCHEMBL361665

Cc1cc(/C(CC(c2ccc(C(=O)NC3CC3)c(F)c2)c2ccccc2Cl)=N/O)c[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
BRD4 O60885 2/20 0.36
GPBAR1 Q8TDU6 3/20 0.35
MET P08581 1/20 0.35
MAPK14 Q16539 4/20 0.34
F10 P00742 1/20 0.34
POLB P06746 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PARP1 P09874 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL362599 0.98 BRD4 (0.40) HPGDBRD4GPBAR1METMAPK14
SCHEMBL363606 0.97 GPBAR1 (0.35) HPGDBRD4GPBAR1METMAPK14
SCHEMBL364618 0.95 MET (0.42) HPGDBRD4GPBAR1METF10
SCHEMBL362147 0.93 MET (0.34) BRD4GPBAR1METF10
SCHEMBL363829 0.89 BRD4 (0.41) HPGDBRD4METMAPK14F10
SCHEMBL364487 0.88 BRD4 (0.42) BRD4GPBAR1
SCHEMBL364415 0.88 HPGD (0.37) HPGDBRD4METMAPK14F10
SCHEMBL364524 0.87 PTGS2 (0.36) HPGDBRD4GPBAR1MAPK14POLB
SCHEMBL363071 0.86 BRD4 (0.37) BRD4GPBAR1
SCHEMBL363154 0.86 HPGD (0.35) HPGDBRD4METMAPK14F10

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