SCHEMBL28824042

SCHEMBL28824042

CN(C)C(=O)c1ccccc1-c1ccc(-n2nncc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 2/20 0.40
NFE2L2 Q16236 1/20 0.40
DAGLB Q8NCG7 1/20 0.39
CTSA P10619 2/20 0.39
ATR Q13535 1/20 0.39
ALOX5AP P20292 1/20 0.38
TACR1 P25103 2/20 0.38
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
KEAP1 Q14145 1/20 0.36
F10 P00742 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL28824044 0.88 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1NFE2L2
SCHEMBL28823984 0.87 BRS3 (0.43) KMT2ASMN1; SMN2GAA
SCHEMBL28824023 0.86 KDM4C (0.44) SMN1; SMN2ALDH1A1ALOX5APF10GAA
SCHEMBL28824097 0.84 BCAT2 (0.53) SMN1; SMN2ALDH1A1ALOX5APF10
SCHEMBL28824144 0.83 ALOX5AP (0.43) MEN1KMT2AALDH1A1ALOX5APMALT1
SCHEMBL28824037 0.81 MCL1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL28824005 0.79 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1F10
SCHEMBL28824043 0.79 KMT2A (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28824102 0.79 MAPK9 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1F10
SCHEMBL29851972 0.77 TSHR (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929676-A Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2022-08-19 CN disclosed