SCHEMBL371138

SCHEMBL371138

CCOC(=O)C(C#N)c1ccc(C(CC(=O)c2ccnc(C)c2)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ MGAM O43451 2/20 0.34
▸ SI P14410 2/20 0.34
▸ MGAM2 Q2M2H8 2/20 0.34
▸ RECQL P46063 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 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
SCHEMBL1390326 0.87 GPBAR1 (0.52) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL362520 0.80 GPBAR1 (0.46) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1390427 0.79 GPBAR1 (0.41) GAAKMT2AMEN1ALDH1A1HTT
SCHEMBL6289274 0.78 SMN1; SMN2 (0.54) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL370198 0.77 WNT3A (0.40) GAAGPBAR1POLBMGAMSI
SCHEMBL370012 0.77 GPBAR1 (0.57) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL1390267 0.75 GPBAR1 (0.48) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL371090 0.74 KDM4E (0.44) KMT2AALDH1A1MAPTKDM4EGPBAR1
SCHEMBL17466005 0.74 MEN1 (0.58) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL370156 0.73 FFAR1 (0.45) KMT2AGPBAR1FFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
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
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