SCHEMBL364618

SCHEMBL364618

Cc1cc(/C(CC(c2ccc(C(=O)NC3CCOCC3)c(F)c2)c2ccccc2Cl)=N/O)c[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
IDH1 O75874 1/20 0.36
P2RX7 Q99572 2/20 0.35
BRD4 O60885 4/20 0.34
CNR2 P34972 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 3/20 0.32
RPS6KA1 Q15418 2/20 0.32
F10 P00742 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NTRK1 P04629 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL361665 0.95 HPGD (0.37) METBRD4CNR2GPBAR1HPGD
SCHEMBL362599 0.93 BRD4 (0.40) METIDH1BRD4GPBAR1HPGD
SCHEMBL362147 0.93 MET (0.34) METBRD4GPBAR1F10NTRK1
SCHEMBL363606 0.92 GPBAR1 (0.35) METBRD4CNR2GPBAR1HPGD
SCHEMBL364487 0.85 BRD4 (0.42) BRD4GPBAR1NTRK1
SCHEMBL364524 0.84 PTGS2 (0.36) BRD4GPBAR1HPGDKDM4ENPSR1
SCHEMBL363829 0.84 BRD4 (0.41) METIDH1BRD4HPGDF10
SCHEMBL1389815 0.84 BRD4 (0.38) METIDH1P2RX7BRD4MAPK1
SCHEMBL1389811 0.84 BRD4 (0.38) METIDH1P2RX7BRD4MAPK1
SCHEMBL369884 0.84 BRD4 (0.38) METIDH1P2RX7BRD4MAPK1

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