SCHEMBL8133603

SCHEMBL8133603

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
ILK Q13418 2/20 0.38
ALOX5 P09917 1/20 0.36
NCS1 P62166 1/20 0.36
AKR1B1 P15121 7/20 0.35
AGPAT2 O15120 2/20 0.35
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 2/20 0.34

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
SCHEMBL9743922 0.84 AHR (0.38) DYRK1AILKALDH1A1MAPTHPGD
SCHEMBL6475090 0.82 SMN1; SMN2 (0.42) ALOX5MEN1LMNAMAPTKMT2A
SCHEMBL9439707 0.79 SMN1; SMN2 (0.43) MEN1ALDH1A1LMNAMAPTHPGD
SCHEMBL19828320 0.79 DYRK1A (0.41) DYRK1AILKALOX5NCS1AKR1B1
SCHEMBL8127842 0.78 RIPK1 (0.47) DYRK1AALDH1A1LMNAPOLBMAPT
SCHEMBL7956829 0.77 DYRK1A (0.50) DYRK1AILKALOX5NCS1AKR1B1
SCHEMBL9439557 0.75 SMN1; SMN2 (0.40) ALOX5SMN1; SMN2NPSR1TDP1PPARA
SCHEMBL9743401 0.75 PTPN1 (0.42) DYRK1AILKMEN1ALDH1A1LMNA
SCHEMBL21048412 0.74 DYRK1A (0.45) DYRK1AILKALOX5NCS1AKR1B1
SCHEMBL8128564 0.74 ALOX5 (0.57) DYRK1AILKALOX5NCS1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452076-B1 Thiazole and imidazole derivatives and antiulcer composition containing same MEIJI SEIKA CO (JP) 2000-07-19 EP disclosed
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