SCHEMBL363093

SCHEMBL363093

COC1CN(c2ccc(C(CC=O)(c3ccnc(C)c3)c3ccccc3C)cc2)C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.31
CHRM4 P08173 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
MEN1 O00255 2/20 0.30

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
SCHEMBL364428 1.00 IDH1 (0.31) IDH1CHRM4RXRAGRIN1GRIN2B
SCHEMBL363791 0.84 AHR (0.37) MEN1
SCHEMBL363561 0.84 AHR (0.37) MEN1
SCHEMBL15949082 0.79
SCHEMBL364417 0.79
SCHEMBL362885 0.76
SCHEMBL363415 0.74 TLR8 (0.42)
SCHEMBL364312 0.73 SMO (0.33)
SCHEMBL363169 0.72 CTSA (0.35) MEN1
SCHEMBL364479 0.72 CTSA (0.35) MEN1

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 2 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 disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed