SCHEMBL28824044

SCHEMBL28824044

CN(C)C(=O)c1cc(-n2nncc2C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NFE2L2 Q16236 10/20 0.40
KEAP1 Q14145 9/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
HSP90AA1 P07900 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL28824042 0.88 MEN1 (0.56) SMN1; SMN2MEN1KMT2ANFE2L2KEAP1
SCHEMBL28823986 0.87 FOLH1 (0.44) SMN1; SMN2RAB9ANPC1HSP90AA1NFKB1
SCHEMBL28824025 0.86 NPC1 (0.39) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL28824098 0.84 BCAT2 (0.45) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL28824145 0.83 PLK1 (0.41) SMN1; SMN2RAB9ANPC1HPGDHSP90AA1
SCHEMBL28824039 0.81 CA1 (0.44) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL28824033 0.79 PTGS1 (0.42) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL28824007 0.79 NPC1 (0.39) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL28824045 0.79 RPA1 (0.46) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL28824047 0.78 GRN (0.42) SMN1; SMN2RAB9ANPC1HPGDHSP90AA1

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