SCHEMBL9208015

SCHEMBL9208015

OCCSc1nc2cccnc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.63
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 3/20 0.46
POLB P06746 3/20 0.44
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
STAT6 P42226 1/20 0.42
HPGD P15428 3/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL5230385 0.82 PDK1 (0.56) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9275611 0.81 PDK1 (0.58) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9464963 0.80 PDK1 (0.56) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9218365 0.80 PDK1 (0.56) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9218235 0.79 PDK1 (0.52) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9211341 0.79 PDK1 (0.59) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9209888 0.79 PDK1 (0.55) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9216855 0.79 PDK1 (0.55) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9215659 0.78 PDK1 (0.51) PDK1ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL9212502 0.78 PDK1 (0.58) PDK1ALDH1A1CYP1A2CYP2D6POLB

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