SCHEMBL9208992

SCHEMBL9208992

CCCCC(=O)CSc1nc2cccnc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
PDK1 Q15118 1/20 0.50
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX5 P09917 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9218853 0.82 ALDH1A1 (0.55) ALDH1A1PDK1POLBAPEX1RECQL
SCHEMBL9217547 0.82 ALDH1A1 (0.55) ALDH1A1PDK1POLBNPC1MAPT
SCHEMBL9214665 0.82 MAPT (0.63) ALDH1A1PDK1POLBAPEX1RECQL
SCHEMBL9217075 0.81 ALDH1A1 (0.51) ALDH1A1PDK1POLBNPC1MAPT
SCHEMBL9211341 0.80 PDK1 (0.59) ALDH1A1PDK1POLBAPEX1RECQL
SCHEMBL9209204 0.80 ALDH1A1 (0.54) ALDH1A1PDK1POLBMAPTLMNA
SCHEMBL9212502 0.79 PDK1 (0.58) ALDH1A1PDK1POLBAPEX1RECQL
SCHEMBL9216519 0.79 ALDH1A1 (0.56) ALDH1A1PDK1POLBMAPTLMNA
SCHEMBL9212431 0.79 ALDH1A1 (0.64) ALDH1A1PDK1POLBAPEX1RECQL
SCHEMBL9210521 0.79 ALDH1A1 (0.64) ALDH1A1PDK1POLBAPEX1RECQL

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