SCHEMBL9370879

SCHEMBL9370879

O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.52
ROCK2 O75116 1/20 0.52
CFTR P13569 2/20 0.51
FAAH O00519 1/20 0.51
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
TRPA1 O75762 2/20 0.48
CNR2 P34972 2/20 0.48
TRPV3 Q8NET8 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
AR P10275 1/20 0.47
MPL P40238 1/20 0.47
KCNQ1 P51787 1/20 0.46

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
SCHEMBL9371238 0.95 ROCK1 (0.49) ROCK1ROCK2CFTRFAAHCA2
SCHEMBL9370793 0.89 SIRT5 (0.49) CFTRSIRT5CSNK2A2CSNK2BCSNK2A1
SCHEMBL9370465 0.88 ROCK1 (0.61) ROCK1ROCK2FAAHCA2CA9
SCHEMBL9373268 0.86 TRPA1 (0.55) ROCK1ROCK2CFTRFAAHSIRT5
SCHEMBL9706553 0.85 ABL1 (0.58) ROCK1ROCK2CFTRFAAHCNR2
SCHEMBL9371475 0.85 ROCK1 (0.54) ROCK1ROCK2FAAHCA9CSNK2A2
SCHEMBL9373930 0.84 ROCK1 (0.56) ROCK1ROCK2FAAHCA2CA9
SCHEMBL9371712 0.84 SIRT5 (0.46) CFTRSIRT5CSNK2A2CSNK2BCSNK2A1
SCHEMBL9376873 0.83 ROCK1 (0.52) ROCK1ROCK2FAAHCSNK2A2CSNK2B
SCHEMBL9370983 0.83 FAAH (0.53) ROCK1ROCK2FAAHCNR2MAPT

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