SCHEMBL31344833

SCHEMBL31344833

Cc1nc2cc(C#N)c(N)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PSMB8 P28062 3/20 0.35
PSMB5 P28074 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
STAT1 P42224 1/20 0.33
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BMPR1B O00238 1/20 0.31
RIPK2 O43353 1/20 0.31
STK16 O75716 1/20 0.31
STK10 O94804 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
SCHEMBL10885994 0.77 TERT (0.45) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL5857363 0.74 L3MBTL1 (0.41) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL5857975 0.74 GAA (0.41) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL30995441 0.74 GAA (0.41) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL30197341 0.74 L3MBTL1 (0.41) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL25105686 0.74 GAA (0.41) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL31344803 0.74 MAPT (0.41) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL2756560 0.73 L3MBTL1 (0.53) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL25097257 0.73 TERT (0.50) GAAL3MBTL1CHRNB2CHRNA4ALDH1A1
SCHEMBL27403356 0.73 KDM4E (0.40) GAAL3MBTL1ALDH1A1KDM4EPOLB

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-119569651-A Carboxamide derivatives, pharmaceutical compositions containing the same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-03-07 CN disclosed