SCHEMBL28702811

SCHEMBL28702811

CC1CCC(NC(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
NPC1 O15118 3/20 0.65
MAPT P10636 3/20 0.65
GAA P10253 2/20 0.65
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
NAMPT P43490 2/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
GFER P55789 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL12424958 0.90 ALDH1A1 (0.69) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL28683089 0.86 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL1116630 0.83 ALDH1A1 (0.78) RAB9ASMN1; SMN2MAPTGAAALDH1A1
SCHEMBL27368115 0.82 GRM5 (0.62) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL12424432 0.79 ALDH1A1 (0.64) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22983024 0.78 ROCK2 (0.69) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL5783791 0.78 ALDH1A1 (0.71) RAB9ASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL3427969 0.78 ALDH1A1 (0.70) RAB9ASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL3427705 0.78 ALDH1A1 (0.74) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL517500 0.77 NPC1 (0.65) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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-108368083-B Heteroaryl compounds and their use as therapeutic agents 东亚首希控股股份有限公司 2022-02-01 CN disclosed