SCHEMBL9217596

SCHEMBL9217596

CNC(=O)C[S+]([O-])c1nc2cccnc2s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TP53 P04637 5/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 2/20 0.39
AHR P35869 1/20 0.39
PDK1 Q15118 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9216045 0.86 POLB (0.43) POLBTP53MAPTGAANPC1
SCHEMBL9212542 0.85 POLB (0.43) POLBTP53MAPTGAANPC1
SCHEMBL9207083 0.84 PDK1 (0.42) POLBTP53MAPTGAANPC1
SCHEMBL9215734 0.84 NPC1 (0.51) POLBTP53MAPTNPC1LMNA
SCHEMBL9217351 0.83 PDK1 (0.41) POLBTP53MAPTGAANPC1
SCHEMBL9215639 0.81 ALDH1A1 (0.44) POLBMAPTGAANPC1ALDH1A1
SCHEMBL9208328 0.81 CYP2C9 (0.44) POLBTP53MAPTGAANPC1
SCHEMBL9218741 0.81 MAPT (0.44) POLBTP53MAPTGAANPC1
SCHEMBL9216554 0.80 ALDH1A1 (0.40) POLBTP53MAPTGAANPC1
SCHEMBL9211255 0.80 POLB (0.38) POLBTP53MAPTGAANPC1

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