SCHEMBL9207643

SCHEMBL9207643

CC(C)N(CC[S+]([O-])c1nc2cccnc2s1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PDK1 Q15118 1/20 0.38
NPC1 O15118 8/20 0.37
RAB9A P51151 6/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9217319 0.83 POLB (0.43) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9217343 0.81 NPC1 (0.46) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9210123 0.79 PDK1 (0.44) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9216240 0.77 GAA (0.38) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9209770 0.77 NPC1 (0.50) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9216304 0.73 PDK1 (0.50) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9212276 0.73 POLB (0.39) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9217540 0.73 POLB (0.46) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9216045 0.73 POLB (0.43) POLBPDK1NPC1RAB9AALDH1A1
SCHEMBL9216554 0.72 ALDH1A1 (0.40) POLBPDK1NPC1ALDH1A1KDM4E

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 6 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