SCHEMBL9218698

SCHEMBL9218698

CN1CCC(Sc2nc3cccnc3s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
POLB P06746 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
HTR3A P46098 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CHKA P35790 1/20 0.35
LTA4H P09960 1/20 0.34
SSTR5 P35346 1/20 0.34

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
SCHEMBL9217289 0.73 PDK1 (0.50) PDK1ALDH1A1HTR1A
SCHEMBL9212260 0.73 PDK1 (0.47) PDK1POLBALDH1A1NPC1HTR1A
SCHEMBL9208357 0.72 PDK1 (0.38) PDK1POLBHRH4NPC1HTR3A
SCHEMBL1002931 0.72 PDK1 (0.73) PDK1POLBALDH1A1NPC1
SCHEMBL9215426 0.70 PDK1 (0.46) PDK1
SCHEMBL3076050 0.69 PDK1 (0.73) PDK1POLBALDH1A1NPC1
SCHEMBL8302529 0.68 EHMT2 (0.42) POLBALDH1A1NPC1
SCHEMBL9206848 0.66 PDK1 (0.50) PDK1ALDH1A1NPC1
SCHEMBL12676793 0.66 CARM1 (0.43)
SCHEMBL29393152 0.64 PDK1 (0.51) PDK1POLBALDH1A1NPC1LTA4H

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-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