SCHEMBL30452096

SCHEMBL30452096

CON(Cc1ccccc1)C(=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.63
TSHR P16473 1/20 0.63
HTT P42858 1/20 0.53
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.49
PLOD2 O00469 1/20 0.48
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GPR52 Q9Y2T5 1/20 0.45
EPHX2 P34913 1/20 0.45
GRM2 Q14416 1/20 0.44

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
SCHEMBL28716329 0.85 KMT2A (0.51) TSHRKMT2ALMNATDP1MEN1
SCHEMBL6228221 0.82 HTT (0.58) GAATSHRHTTKMT2ALMNA
SCHEMBL9458366 0.81 GAA (0.68) GAATSHRHTTKMT2ALMNA
SCHEMBL9104852 0.81 GAA (0.71) GAATSHRHTTKMT2ALMNA
Hydrochloric Acid SCHEMBL11508162 0.77 GAA (0.66) GAATSHRHTTKMT2ALMNA
SCHEMBL14855305 0.77 GAA (0.66) GAATSHRHTTKMT2ALMNA
SCHEMBL14855303 0.76 GAA (0.64) GAATSHRHTTKMT2ALMNA
SCHEMBL30991374 0.76 HDAC1 (0.42) KMT2ALMNAALDH1A1RAB9AMEN1
SCHEMBL8356141 0.75 MEN1 (0.48) HTTKMT2ALMNATDP1ALDH1A1
SCHEMBL6560032 0.75 NPC1 (0.50) TSHRKMT2ALMNAALDH1A1RAB9A

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-109689197-B Microcapsule compositions stabilized with viscosity control agents 国际香料和香精公司 2023-06-23 CN disclosed