SCHEMBL9207091

SCHEMBL9207091

CC(C)N(CCSc1nc2cccnc2o1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.37
ADRA2C P18825 1/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 2/20 0.36
DAGLA Q9Y4D2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL9212294 0.79 SHMT2 (0.51) FAAHTP53
SCHEMBL1056788 0.72 ELANE (0.49) FAAHALDH1A1DAGLAKDM4ENPC1
SCHEMBL9211417 0.71 PDK1 (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4738504 0.71 SMN1; SMN2 (0.44) DDAH1ADRA2CFAAHDAGLANPC1
SCHEMBL9213887 0.69 TMEM97 (0.34) DDAH1ADRA2CALDH1A1HPGDHSD17B10
SCHEMBL6213545 0.69 SOAT1 (0.75)
SCHEMBL9217607 0.67 ELANE (0.63) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL2624379 0.66 ALDH1A1 (0.45) FAAHALDH1A1DAGLAKDM4ENPC1
SCHEMBL9215635 0.64 PDK1 (0.41) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL21388620 0.64 SGMS2 (0.41) FAAHALDH1A1DAGLAKDM4ENPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668864-A1 SUBSTITUTED BIPHENYLMETHYLIMIDAZOPYRIDINES MERCK & CO. INC. (US) 1995-08-30 EP disclosed
EP-0668864-A4 SUBSTITUTED BIPHENYLMETHYLIMIDAZOPYRIDINES. MERCK & CO INC (US) 1995-07-10 EP disclosed
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