SCHEMBL9744754

SCHEMBL9744754

CCOCCSc1nc2cc(F)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
ALOX5 P09917 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT6 P42226 1/20 0.43
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 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
SCHEMBL9439285 0.84 ALOX5 (0.60) L3MBTL1CYP1A2CYP2D6ALOX5CYP3A4
SCHEMBL8128564 0.84 ALOX5 (0.57) MAPTL3MBTL1CYP1A2CYP2D6ALOX5
SCHEMBL8133629 0.80 MAPT (0.55) MAPTHTTTDP1L3MBTL1CYP1A2
SCHEMBL9217493 0.77 CYP1A2 (0.44) MAPTL3MBTL1CYP1A2CYP2D6ALOX5
SCHEMBL9439503 0.77 ALOX5 (0.58) L3MBTL1CYP1A2CYP2D6ALOX5CYP3A4
SCHEMBL22380032 0.77 DYRK1A (0.45) MAPTTDP1DYRK1AALDH1A1HSD17B10
SCHEMBL9743956 0.76 ALOX5 (0.48) MAPTHTTL3MBTL1ALOX5ALDH1A1
SCHEMBL9439898 0.75 MAPT (0.63) MAPTHTTTDP1L3MBTL1CYP1A2
SCHEMBL9185540 0.74 ALOX5 (0.44) L3MBTL1CYP1A2CYP2D6ALOX5CYP3A4
SCHEMBL1512366 0.74 SMN1; SMN2 (0.65) CYP1A2CYP3A4CYP2C19DYRK1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171746-A THIAZOLE AND IMIDAZOLE DERIVATIVES AND ANTIULCER COMPOSITION CONTAINING SAME MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-12-15 US disclosed
EP-0452076-A1 Thiazole and imidazole derivatives and antiulcer composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-10-16 EP disclosed