SCHEMBL9743459

SCHEMBL9743459

[O-][S+](CCN1CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
RAB9A P51151 2/20 0.39
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38
LRRK2 Q5S007 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LMNA P02545 2/20 0.36
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
AR P10275 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 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
SCHEMBL9742989 0.86 RAB9A (0.42) RAB9AKCNH2USP2GAAALDH1A1
SCHEMBL9743920 0.84 TMEM97 (0.44) USP2GAAPOLB
SCHEMBL9743960 0.80 ALDH1A1 (0.56) GAAPOLBLMNAIRAK4ALDH1A1
SCHEMBL9743934 0.78 CLK1 (0.52) RAB9ALRRK2USP2GAAPOLB
SCHEMBL9744708 0.76 ALOX5 (0.51) ABL1BCRRAB9AUSP2GAA
SCHEMBL8133603 0.73 DYRK1A (0.41) POLBDYRK1ALMNAALDH1A1MAPT
SCHEMBL9743503 0.73 TMEM97 (0.57) RAB9ALMNA
SCHEMBL9743877 0.71 CASR (0.45) RAB9AUSP2GAALMNAALDH1A1
SCHEMBL9214629 0.71 GAA (0.40) RAB9AUSP2GAAPOLBL3MBTL1
SCHEMBL9744020 0.71 HSP90AA1 (0.46) USP2GAALMNAHIF1AALDH1A1

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