SCHEMBL9217547

SCHEMBL9217547

CCCCOC(=O)CSc1nc2cccnc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PDK1 Q15118 1/20 0.47
NPC1 O15118 2/20 0.44
MAPT P10636 6/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 3/20 0.44
SHMT2 P34897 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 4/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP1A2 P05177 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT1 P42224 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
SCHEMBL9217075 0.96 ALDH1A1 (0.51) ALDH1A1ATMTDP1L3MBTL1PDK1
SCHEMBL9209204 0.93 ALDH1A1 (0.54) ALDH1A1ATMTDP1L3MBTL1PDK1
SCHEMBL9216519 0.88 ALDH1A1 (0.56) ALDH1A1L3MBTL1PDK1MAPTHPGD
SCHEMBL9208113 0.85 ALDH1A1 (0.52) ALDH1A1PDK1MAPTHPGDLMNA
SCHEMBL9212431 0.83 ALDH1A1 (0.64) ALDH1A1TDP1L3MBTL1PDK1MAPT
SCHEMBL9213211 0.83 ALDH1A1 (0.53) ALDH1A1PDK1MAPTHPGDLMNA
SCHEMBL9208992 0.82 ALDH1A1 (0.53) ALDH1A1PDK1NPC1MAPTHPGD
SCHEMBL9211585 0.81 ALDH1A1 (0.52) ALDH1A1PDK1MAPTHPGDLMNA
SCHEMBL9211573 0.81 ALDH1A1 (0.52) ALDH1A1PDK1MAPTHPGDLMNA
SCHEMBL9207657 0.81 ALDH1A1 (0.51) ALDH1A1PDK1MAPTHPGDLMNA

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
JP-3218377-A None JP 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
JP-H03218377-A AZOLE COMPOUND AND ANTIULCER AGENT CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT MEIJI SEIKA KAISHA LTD 1991-09-25 JP disclosed
EP-0405976-A1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-02 EP disclosed