SCHEMBL28839773

SCHEMBL28839773

CCOC(=O)CNC(=O)c1ccc(C#N)cc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
GLA P06280 2/20 0.46
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
LRRK2 Q5S007 1/20 0.43
EGLN1 Q9GZT9 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
BRCA1 P38398 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL29175523 0.86 MAPT (0.47) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL28840064 0.85 EGLN1 (0.50) ALDH1A1SMN1; SMN2MAPTKDM4ELRRK2
SCHEMBL28840065 0.83 EGLN1 (0.48) SMN1; SMN2MAPTRAB9AKDM4EPOLB
SCHEMBL1823015 0.82 MIF (0.44) ALDH1A1SMN1; SMN2KDM4EGAALRRK2
SCHEMBL24994150 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL29175526 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30233561 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13634462 0.79 CNR1 (0.44) SMN1; SMN2LRRK2EGLN1
SCHEMBL286232 0.79 CA12 (0.49) ALDH1A1SMN1; SMN2MAPTGLATP53
SCHEMBL13161985 0.78 EGLN1 (0.52) SMN1; SMN2RAB9APOLBLRRK2EGLN1

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
CN-114907236-B Aldoxime compound and preparation method and application thereof 四川青木制药有限公司 2024-02-09 CN disclosed
CN-114907236-A Aldoxime compound and preparation method and application thereof 四川青木制药有限公司 2022-08-16 CN disclosed