SCHEMBL9217634

SCHEMBL9217634

Cn1nnnc1C[S+]([O-])c1nc2cccnc2s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
PDK1 Q15118 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RUNX1 Q01196 1/20 0.32
CBFB Q13951 1/20 0.32
AKR1B1 P15121 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
SCHEMBL9207952 0.86 POLB (0.34) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9218091 0.80 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL9209984 0.74 PDK1 (0.50) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9216045 0.73 POLB (0.43) POLBPDK1NPC1RAB9AKDM4E
SCHEMBL9207083 0.71 PDK1 (0.42) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9216304 0.71 PDK1 (0.50) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9210123 0.71 PDK1 (0.44) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9217319 0.70 POLB (0.43) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9217540 0.70 POLB (0.46) POLBPDK1NPC1RAB9ASMN1; SMN2
SCHEMBL9217351 0.70 PDK1 (0.41) 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 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