SCHEMBL9217075

SCHEMBL9217075

CCCCCCCCOC(=O)CSc1nc2cccnc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDK1 Q15118 1/20 0.45
NPC1 O15118 1/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
SHMT2 P34897 1/20 0.43
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9209204 0.91 ALDH1A1 (0.54) ALDH1A1ATMTDP1L3MBTL1PDK1
SCHEMBL9208992 0.81 ALDH1A1 (0.53) ALDH1A1PDK1NPC1HPGDMAPT
SCHEMBL9218853 0.80 ALDH1A1 (0.55) ALDH1A1PDK1NPC1HPGDMAPT
SCHEMBL9211585 0.79 ALDH1A1 (0.52) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9211573 0.79 ALDH1A1 (0.52) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9207657 0.79 ALDH1A1 (0.51) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9217714 0.78 ALDH1A1 (0.55) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9215570 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1PDK1NPC1HPGD
SCHEMBL9214665 0.77 MAPT (0.63) ALDH1A1PDK1NPC1HPGDMAPT
SCHEMBL9214938 0.77 NPC1 (0.41) ALDH1A1ATMTDP1L3MBTL1NPC1

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