SCHEMBL31430299

SCHEMBL31430299

COc1ccc(CN2C(=O)CCc3cccc(Cl)c32)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.58
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CASP3 P42574 2/20 0.52
GAA P10253 2/20 0.52
APAF1 O14727 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CMA1 P23946 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
ALDH1A1 P00352 3/20 0.47
BLM P54132 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL31430163 0.86 MEN1 (0.51) CHRM5MEN1KMT2ACASP3GAA
SCHEMBL15627434 0.81 MEN1 (0.70) CHRM5MEN1KMT2ACASP3GAA
SCHEMBL41389 0.80 CMA1 (0.70) MEN1KMT2ACASP3GAAAPAF1
SCHEMBL30100689 0.80 POLB (0.71) MEN1KMT2ACASP3GAAAPAF1
SCHEMBL4328336 0.80 POLB (0.71) MEN1KMT2ACASP3GAAAPAF1
SCHEMBL30100692 0.80 POLB (0.71) MEN1KMT2ACASP3GAAAPAF1
SCHEMBL31430358 0.78 CHRM5 (0.54) CHRM5MEN1KMT2ACASP3GAA
SCHEMBL17543987 0.78 CMA1 (0.48) CHRM5MEN1KMT2ACASP3GAA
SCHEMBL17543696 0.78 CMA1 (0.48) CHRM5MEN1KMT2ACASP3GAA
SCHEMBL31430258 0.76 CHRM5 (0.51) CHRM5MEN1KMT2ACASP3GAA

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
WO-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 WO disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 CN disclosed