SCHEMBL9370487

SCHEMBL9370487

CN1CCN(C(=S)Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.53
ALK Q9UM73 4/20 0.52
LMNA P02545 1/20 0.49
SIRT5 Q9NXA8 1/20 0.48
ALOX5 P09917 1/20 0.46
TRPA1 O75762 3/20 0.46
TRPV4 Q9HBA0 1/20 0.46
KCNQ1 P51787 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PHGDH O43175 1/20 0.43
MRE11 P49959 1/20 0.43
MPL P40238 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43

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
SCHEMBL9370647 0.87 KMT2A (0.54) LMNAALOX5ROCK1
SCHEMBL9706601 0.87 LMNA (0.59) ALKLMNASIRT5TRPA1TRPV4
SCHEMBL9373539 0.87 ROCK1 (0.59) GSTO1ALKLMNASIRT5TRPA1
SCHEMBL9376475 0.85 GSTO1 (0.49) GSTO1SIRT5ALOX5KCNQ1ROCK2
SCHEMBL9376501 0.85 KMT2A (0.51) LMNASIRT5TRPA1TRPV4
SCHEMBL9377156 0.85 ALOX5 (0.46) ALKLMNAALOX5ROCK2ROCK1
SCHEMBL9376079 0.85 KMT2A (0.58) GSTO1LMNA
SCHEMBL9375923 0.85 MAPT (0.53) GSTO1ALKLMNAPHGDH
SCHEMBL9371420 0.83 ACHE (0.57) GSTO1LMNAROCK1
SCHEMBL9370826 0.82 KDM4E (0.56) ALKLMNASIRT5KCNQ1

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-0589985-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-04-06 EP disclosed
WO-1993000342-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-01-07 WO disclosed
EP-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 EP disclosed