SCHEMBL6476745

SCHEMBL6476745

CCOCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
LMNA P02545 5/20 0.46
CYP2C9 P11712 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
WDR5 P61964 3/20 0.46
ENGASE Q8NFI3 3/20 0.46
DDAH1 O94760 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
HPGD P15428 2/20 0.46
TBXA2R P21731 2/20 0.46
NPY1R P25929 2/20 0.46
ADORA1 P30542 2/20 0.46
OPRM1 P35372 2/20 0.46
HTR3A P46098 2/20 0.46
FASN P49327 2/20 0.46
SARM1 Q6SZW1 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
HTR1A P08908 1/20 0.46
IDE P14735 1/20 0.46

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
SCHEMBL9025509 0.99 KMT2A (0.45) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL9025491 0.99 KMT2A (0.45) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL8542308 0.95 KMT2A (0.49) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL8502421 0.91 KMT2A (0.45) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL8503518 0.91 KMT2A (0.52) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL9022527 0.91 KMT2A (0.48) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL13871335 0.91 CYP2C9 (0.46) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL8503064 0.90 KMT2A (0.44) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL8526311 0.90 ALDH1A1 (0.43) KMT2ALMNACYP2C9ALDH1A1MAPT
SCHEMBL5352982 0.90 KMT2A (0.54) KMT2ALMNACYP2C9ALDH1A1MAPT

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
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US claimed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed