SCHEMBL9207952

SCHEMBL9207952

Cn1nnnc1CCCC[S+]([O-])c1nc2cccnc2s1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
PDK1 Q15118 1/20 0.33
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9217634 0.86 POLB (0.38) POLBNPC1PDK1RAB9ASMN1; SMN2
SCHEMBL9209880 0.82 HTR1A (0.41) SMN1; SMN2
SCHEMBL9209770 0.77 NPC1 (0.50) POLBNPC1PDK1RAB9ASMN1; SMN2
SCHEMBL9209063 0.77 PDK1 (0.45) POLBNPC1PDK1RAB9ASMN1; SMN2
SCHEMBL9456218 0.75 ALDH1A1 (0.38) POLBNPC1PDK1RAB9ASMN1; SMN2
SCHEMBL9207415 0.75 DRD2 (0.38) POLBNPC1PDK1
SCHEMBL9210123 0.72 PDK1 (0.44) POLBNPC1PDK1RAB9ASMN1; SMN2
SCHEMBL9217319 0.71 POLB (0.43) POLBNPC1PDK1RAB9ASMN1; SMN2
SCHEMBL9209984 0.70 PDK1 (0.50) POLBNPC1PDK1RAB9ASMN1; SMN2
SCHEMBL9218091 0.69 ALDH1A1 (0.39) SMN1; 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-0684945-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-06 EP disclosed
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