SCHEMBL363109

SCHEMBL363109

CC(=NO)[C@@](c1ccccc1)(c1ccnc(C)c1)c1ccc(Cl)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.34
CYP19A1 P11511 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.31
NPC1 O15118 1/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRCP P42785 1/20 0.31
PROKR1 Q8TCW9 1/20 0.30
CDC7 O00311 1/20 0.30
EEF2K O00418 1/20 0.30
PLK4 O00444 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
DAPK3 O43293 1/20 0.30
DYRK3 O43781 1/20 0.30
ROCK2 O75116 1/20 0.30
RPS6KA5 O75582 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 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
SCHEMBL363756 0.90 MEN1 (0.32) SMN1; SMN2PROKR1
SCHEMBL365048 0.90 MEN1 (0.32) SMN1; SMN2PROKR1
SCHEMBL363413 0.89 POLB (0.30)
SCHEMBL362836 0.89 POLB (0.30)
SCHEMBL363100 0.89 POLB (0.30)
SCHEMBL364180 0.87 GPBAR1 (0.35) GPBAR1
SCHEMBL365757 0.86 CDC7 (0.35) CASRCYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL365288 0.85 CCR9 (0.34)
SCHEMBL364569 0.85 MAPT (0.36) NPC1THRBRAB9ASMN1; SMN2
SCHEMBL363868 0.85 CCR9 (0.34)

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