SCHEMBL9370465

SCHEMBL9370465

O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.61
ROCK2 O75116 2/20 0.61
GSTO1 P78417 1/20 0.54
LMNA P02545 1/20 0.52
FAAH O00519 1/20 0.52
KCNQ1 P51787 1/20 0.49
CNR2 P34972 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALOX5 P09917 1/20 0.46
SIRT5 Q9NXA8 1/20 0.45
KDM1A O60341 1/20 0.44
MRE11 P49959 1/20 0.44
MPL P40238 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44

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
SCHEMBL9373930 0.93 ROCK1 (0.56) ROCK1ROCK2GSTO1LMNAFAAH
SCHEMBL9370685 0.89 GSTO1 (0.61) ROCK1ROCK2GSTO1LMNAFAAH
SCHEMBL9370963 0.89 ROCK1 (0.61) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9370879 0.88 ROCK1 (0.52) ROCK1ROCK2FAAHKCNQ1CNR2
SCHEMBL9376475 0.88 GSTO1 (0.49) ROCK1ROCK2GSTO1KCNQ1ALOX5
SCHEMBL9371121 0.87 ROCK1 (0.62) ROCK1ROCK2GSTO1LMNAFAAH
SCHEMBL9374885 0.86 ROCK1 (0.61) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9370393 0.86 ROCK1 (0.61) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9373539 0.85 ROCK1 (0.59) ROCK1ROCK2GSTO1LMNAFAAH
SCHEMBL9373649 0.84 GSTO1 (0.60) ROCK1ROCK2GSTO1LMNAFAAH

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