SCHEMBL9214938

SCHEMBL9214938

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.39
KDM4A O75164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 2/20 0.36
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6483103 0.96 NPC1 (0.43) NPC1KDM4ELMNAMAPTTP53
SCHEMBL9206863 0.91 POLB (0.40) NPC1KDM4ELMNAMAPTTP53
SCHEMBL9212542 0.82 POLB (0.43) NPC1KDM4ELMNAMAPTTP53
SCHEMBL9208256 0.80 CYP2C9 (0.35) NPC1KDM4ELMNAMAPTTP53
SCHEMBL9209770 0.80 NPC1 (0.50) NPC1KDM4ELMNAMAPTTP53
SCHEMBL9216554 0.79 ALDH1A1 (0.40) NPC1KDM4ELMNAMAPTTP53
SCHEMBL9216045 0.78 POLB (0.43) NPC1KDM4ELMNAMAPTTP53
SCHEMBL9217075 0.77 ALDH1A1 (0.51) NPC1KDM4EKDM4AKDM4CLMNA
SCHEMBL9216318 0.76 CYP2C9 (0.43) NPC1KDM4ELMNAMAPTTP53
SCHEMBL9217351 0.76 PDK1 (0.41) NPC1KDM4ELMNAMAPTTP53

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