SCHEMBL368907

SCHEMBL368907

CCOc1ccc([C@@](C/C=N/O)(c2ccnc(C)c2)c2ccc(Cl)cc2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.32
MEN1 O00255 3/20 0.31
PSMD14 O00487 1/20 0.31
BLM P54132 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL363467 0.88 MEN1 (0.31) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL364546 0.88 MEN1 (0.31) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL362561 0.87 RAB9A (0.32) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL363425 0.87 KCNH2 (0.32) KCNH2
SCHEMBL365144 0.87 KCNH2 (0.32) KCNH2
SCHEMBL364470 0.87 CYP19A1 (0.34)
SCHEMBL364569 0.78 MAPT (0.36) EHMT2MAPTALDH1A1GAAHPGD
SCHEMBL363737 0.78 CYP3A4 (0.35)
SCHEMBL363793 0.78 CYP3A4 (0.35)
SCHEMBL363784 0.77

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