SCHEMBL30905609

SCHEMBL30905609

COCCCOc1ccnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
CYP2C9 P11712 5/20 0.63
WDR5 P61964 4/20 0.63
ALDH1A1 P00352 4/20 0.63
LMNA P02545 4/20 0.63
ENGASE Q8NFI3 3/20 0.63
MAPT P10636 3/20 0.63
DDAH1 O94760 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
HPGD P15428 2/20 0.63
TBXA2R P21731 2/20 0.63
NPY1R P25929 2/20 0.63
ADORA1 P30542 2/20 0.63
OPRM1 P35372 2/20 0.63
HTR3A P46098 2/20 0.63
FASN P49327 2/20 0.63
SARM1 Q6SZW1 2/20 0.63
ABCG2 Q9UNQ0 2/20 0.63
HTR1A P08908 1/20 0.63
IDE P14735 1/20 0.63

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
SCHEMBL1307379 1.00 KMT2A (0.63) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL6600439 0.99 CYP2C9 (0.62) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL6600434 0.99 KMT2A (0.62) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL10121508 0.89 KMT2A (0.62) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL23988420 0.88 CYP2C9 (0.51) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL23988519 0.86 CYP2C9 (0.53) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL5414007 0.85 KMT2A (0.60) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL23988509 0.84 CYP2C9 (0.47) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL2851048 0.84 KMT2A (0.59) KMT2ACYP2C9WDR5ALDH1A1LMNA
SCHEMBL2851052 0.84 KMT2A (0.59) KMT2ACYP2C9WDR5ALDH1A1LMNA

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-118010878-A Determination method and application of impurities in sodium rabeprazole enteric-coated preparation 丽珠集团丽珠制药厂 2024-05-10 CN claimed
CN-118010878-A Determination method and application of impurities in sodium rabeprazole enteric-coated preparation 丽珠集团丽珠制药厂 2024-05-10 CN disclosed
CN-118010878-A Determination method and application of impurities in sodium rabeprazole enteric-coated preparation 丽珠集团丽珠制药厂 2024-05-10 CN disclosed