SCHEMBL370168

SCHEMBL370168

Cc1cc([C@](CC=O)(c2ccccc2)c2ccc(Cl)cc2C)ccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
KIF11 P52732 1/20 0.32
CASR P41180 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
ANO1 Q5XXA6 2/20 0.31
SHMT1 P34896 1/20 0.31
PROKR1 Q8TCW9 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 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

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
SCHEMBL370939 0.89 KCNH2 (0.33) KCNH2
SCHEMBL363251 0.89 KCNH2 (0.33) KCNH2
SCHEMBL364470 0.86 CYP19A1 (0.34) CYP19A1KIF11CASRANO1PROKR1
SCHEMBL363150 0.82 TLR9 (0.36) PROKR1MAPKAPK2
SCHEMBL364445 0.78 CYP3A4 (0.35)
SCHEMBL364417 0.78
SCHEMBL15949082 0.78
SCHEMBL365450 0.78 WNT3A (0.43) PROKR1PRKAA1
SCHEMBL364546 0.76 MEN1 (0.31) PROKR1
SCHEMBL363467 0.76 MEN1 (0.31) PROKR1

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