SCHEMBL30725833

SCHEMBL30725833

Cc1ccc(/C=N/[S@@+]([O-])C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ATM Q13315 1/20 0.38
PTGS2 P35354 2/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 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
SCHEMBL4935498 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL24017054 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL4935506 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL30725825 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL22159270 0.90 NPC1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL22159273 0.90 NPC1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL22159277 0.90 NPC1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL20644879 0.83 MAOB (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25197895 0.83 TRPA1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL25197894 0.83 TRPA1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B

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
CN-117185976-B Synthesis method of compound L635 深圳市灵兰生物医药科技有限公司 2024-12-31 CN disclosed
CN-117185976-A Synthesis method of compound L635 深圳市灵兰生物医药科技有限公司 2023-12-08 CN disclosed