SCHEMBL9209770

SCHEMBL9209770

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
POLB P06746 1/20 0.45
PDK1 Q15118 1/20 0.40
HPGD P15428 5/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
RUNX1 Q01196 1/20 0.37
CBFB Q13951 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL9217343 0.85 NPC1 (0.46) NPC1POLBPDK1HPGDLMNA
SCHEMBL9210123 0.81 PDK1 (0.44) NPC1POLBPDK1HPGDLMNA
SCHEMBL9217319 0.80 POLB (0.43) NPC1POLBPDK1HPGDLMNA
SCHEMBL10925896 0.80 NPC1 (0.40) NPC1MAPTALDH1A1RAB9AKDM4E
SCHEMBL10922582 0.80 NPC1 (0.40) NPC1MAPTALDH1A1RAB9AKDM4E
SCHEMBL9207415 0.79 DRD2 (0.38) NPC1POLBPDK1
SCHEMBL9217540 0.77 POLB (0.46) NPC1POLBPDK1HPGDLMNA
SCHEMBL9207952 0.77 POLB (0.34) NPC1POLBPDK1RAB9ASMN1; SMN2
SCHEMBL9207643 0.77 POLB (0.40) NPC1POLBPDK1HPGDLMNA
SCHEMBL9215734 0.77 NPC1 (0.51) NPC1POLBLMNAMAPTTP53

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 5 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
EP-0405976-A1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-02 EP disclosed