SCHEMBL364569

SCHEMBL364569

CCOc1ccc([C@](C(C)=NO)(c2ccnc(C)c2)c2ccc(Cl)cc2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
EHMT2 Q96KQ7 1/20 0.36
GAA P10253 3/20 0.35
KCNH2 Q12809 1/20 0.33
TP53 P04637 4/20 0.32
NPC1 O15118 3/20 0.32
MEN1 O00255 3/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNA7 P36544 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL364004 0.88 MAPT (0.41) MAPTALDH1A1KMT2ASMN1; SMN2EHMT2
SCHEMBL362932 0.87 RAB9A (0.33) MAPTKMT2ASMN1; SMN2GAATP53
SCHEMBL363756 0.86 MEN1 (0.32) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL365048 0.86 MEN1 (0.32) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL363100 0.85 POLB (0.30)
SCHEMBL363413 0.85 POLB (0.30)
SCHEMBL362836 0.85 POLB (0.30)
SCHEMBL363109 0.85 CASR (0.34) SMN1; SMN2NPC1RAB9ATHRB
SCHEMBL365288 0.82 CCR9 (0.34)
SCHEMBL363868 0.82 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