SCHEMBL29186335

SCHEMBL29186335

COc1ccnc([SH](C)(=O)c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.42
▸ RAB9A P51151 9/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ CYP2C9 P11712 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ WDR5 P61964 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ENGASE Q8NFI3 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ DDAH1 O94760 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TBXA2R P21731 2/20 0.41
▸ NPY1R P25929 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ HTR3A P46098 2/20 0.41
▸ FASN P49327 2/20 0.41
▸ SARM1 Q6SZW1 2/20 0.41

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
SCHEMBL19949474 0.87 KMT2A (0.57) NPC1RAB9ASMN1; SMN2CYP2C9LMNA
SCHEMBL28064578 0.86 KMT2A (0.56) NPC1RAB9ASMN1; SMN2CYP2C9LMNA
SCHEMBL14988972 0.84 MAPT (0.57) NPC1RAB9ASMN1; SMN2CYP2C9LMNA
SCHEMBL27990433 0.79 ALDH1A1 (0.45) NPC1RAB9ACYP2C9LMNAMAPT
SCHEMBL27677793 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2CYP2C9LMNA
SCHEMBL27990381 0.70 RUNX1 (0.52) CYP2C9LMNAMAPTALDH1A1DDAH1
SCHEMBL18040452 0.69 CYP2C9 (0.41) NPC1RAB9ASMN1; SMN2CYP2C9LMNA
SCHEMBL13547174 0.69 CYP2C9 (0.62) NPC1RAB9ACYP2C9LMNAMAPT
SCHEMBL23988420 0.68 CYP2C9 (0.51) NPC1RAB9ASMN1; SMN2CYP2C9LMNA
SCHEMBL23957939 0.68 CYP2C9 (0.45) NPC1RAB9ASMN1; SMN2CYP2C9LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534657-A Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-02-09 — — CN claimed
CN-117534657-A Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-02-09 — — CN disclosed
CN-117534657-A Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-02-09 — — CN disclosed
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