SCHEMBL9211637

SCHEMBL9211637

CC1(C)CCCC(C)(C)N1CC[S+]([O-])c1nc2cccnc2s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PDK1 Q15118 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
RUNX1 Q01196 1/20 0.31
CBFB Q13951 1/20 0.31
CTSB P07858 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL9214629 0.75 GAA (0.40) POLBPDK1NPC1RAB9AKDM4E
SCHEMBL9207415 0.75 DRD2 (0.38) POLBPDK1NPC1
SCHEMBL9210123 0.74 PDK1 (0.44) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9215626 0.74 CHRNB4 (0.42)
SCHEMBL9217319 0.73 POLB (0.43) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9279997 0.73 HSD17B10 (0.41) POLBPDK1KDM4EALDH1A1GAA
SCHEMBL9209770 0.72 NPC1 (0.50) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9207643 0.71 POLB (0.40) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9215573 0.70 KCNH2 (0.38) POLBPDK1NPC1
SCHEMBL9216304 0.69 PDK1 (0.50) POLBPDK1NPC1RAB9ASMN1; SMN2

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 7 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 claimed
EP-0405976-A1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-02 EP claimed
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
EP-0405976-A1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-02 EP disclosed