SCHEMBL9435904

SCHEMBL9435904

CN(C)c1ccc(-c2c(-c3ccc(F)cc3)nc3n2CCS3)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.71
MAPK13 O15264 2/20 0.71
MAPK12 P53778 2/20 0.71
MAPK11 Q15759 2/20 0.71
KDM4E B2RXH2 2/20 0.70
CYP3A4 P08684 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
TGFBR1 P36897 1/20 0.59
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 3/20 0.52
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9435577 1.00 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
Hydrochloric Acid SCHEMBL11369989 0.88 TDP1 (0.87) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7378916 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL146947 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11KDM4E
Dimethylamine SCHEMBL9436026 0.82 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
Dimethylamine SCHEMBL9436089 0.82 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
Hydrochloric Acid SCHEMBL170802 0.82 KDM4E (1.00) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL11375463 0.81 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL9435595 0.80 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL18885109 0.77 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11KDM4E

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-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed