SCHEMBL9215635

SCHEMBL9215635

CC(C)N(CCSCc1nc2cccnc2s1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 9/20 0.37
RAB9A P51151 6/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 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 5/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 2/20 0.33
AKR1B1 P15121 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9211417 0.80 PDK1 (0.54) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL26485577 0.72 POLB (0.50) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL9220138 0.71 POLB (0.44) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL9207643 0.70 POLB (0.40) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL2756164 0.70 POLB (0.58) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL15920638 0.68 POLB (0.59) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL1272703 0.67 POLB (0.48) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL2179891 0.67 UBE2T (0.55) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL2175795 0.67 PDK1 (0.53) PDK1POLBNPC1RAB9AALDH1A1
SCHEMBL14421725 0.67 PDK1 (0.53) PDK1POLBNPC1RAB9AALDH1A1

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 3 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-5079255-A Nontoxic, acid stability MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed