SCHEMBL9208099

SCHEMBL9208099

CCOC(=O)C[S+]([O-])c1nc2ccncc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SHMT2 P34897 1/20 0.36
CDC7 O00311 6/20 0.36
DBF4 Q9UBU7 6/20 0.36
NAMPT P43490 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9272981 0.91 CYP2C9 (0.43) MAPK1RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL9208318 0.85 MAPK1 (0.36) MAPK1CDK2MAPTKDM4EMEN1
SCHEMBL9209236 0.76 SMN1; SMN2 (0.35) MAPK1CDK2MAPTKDM4EMEN1
SCHEMBL9208328 0.76 CYP2C9 (0.44) MAPK1MAPTKDM4EGAAALDH1A1
SCHEMBL9213226 0.76 KDM4E (0.39) MAPK1MAPTKDM4EMEN1GAA
SCHEMBL9218073 0.73 MAPT (0.65) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6198615 0.73 CDC7 (0.47) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL9219865 0.72 ALDH1A1 (0.32) MAPK1MAPTKDM4EMEN1GAA
SCHEMBL9218464 0.72 SMN1; SMN2 (0.35) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL6632448 0.70 L3MBTL1 (0.43) MAPTKDM4EMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405976-B1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA CO (JP) 1995-04-05 EP disclosed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US disclosed
US-5141946-A Antisecretory agents; acid resistance MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-5079255-A Nontoxic, acid stability MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed