SCHEMBL28064578

SCHEMBL28064578

COCCCOc1ccnc([SH](C)(=O)c2nc3ccccc3[nH]2)c1C.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ CYP2C9 P11712 4/20 0.56
▸ WDR5 P61964 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ ENGASE Q8NFI3 3/20 0.56
▸ DDAH1 O94760 2/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ TBXA2R P21731 2/20 0.56
▸ NPY1R P25929 2/20 0.56
▸ ADORA1 P30542 2/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ HTR3A P46098 2/20 0.56
▸ FASN P49327 2/20 0.56
▸ SARM1 Q6SZW1 2/20 0.56
▸ ABCG2 Q9UNQ0 2/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ IDE P14735 1/20 0.56

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 0.99 KMT2A (0.57) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL29186335 0.86 NPC1 (0.42) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL27990433 0.85 ALDH1A1 (0.45) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL14988972 0.82 MAPT (0.57) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL18040452 0.82 CYP2C9 (0.41) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL18040453 0.79 CYP2C9 (0.39) KMT2ACYP2C9WDR5LMNAMAPT
Rabeprazole SCHEMBL140495 0.73 KMT2A (0.60) KMT2ACYP2C9WDR5LMNAMAPT
Rabeprazole SCHEMBL491358 0.73 KMT2A (0.60) KMT2ACYP2C9WDR5LMNAMAPT
Dexrabeprazole SCHEMBL22189141 0.73 KMT2A (0.60) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL28389152 0.73 KMT2A (0.55) KMT2ACYP2C9WDR5LMNAMAPT

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-104337789-B Sodium rabeprazole enteric-coated preparation and preparation method thereof CHENGDU DIKANG PHARMACEUTICAL CO., LTD. (CN) 2016-05-11 — — CN disclosed
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