SCHEMBL9370685

SCHEMBL9370685

O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.61
ROCK1 Q13464 6/20 0.58
ROCK2 O75116 2/20 0.58
LMNA P02545 2/20 0.57
KCNQ1 P51787 1/20 0.53
CNR2 P34972 1/20 0.52
NPC1 O15118 2/20 0.50
SIRT5 Q9NXA8 1/20 0.49
FAAH O00519 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
PPARG P37231 1/20 0.49
KMT2A Q03164 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49

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
SCHEMBL9373649 0.90 GSTO1 (0.60) GSTO1ROCK1ROCK2LMNAKCNQ1
SCHEMBL9370465 0.89 ROCK1 (0.61) GSTO1ROCK1ROCK2LMNAKCNQ1
SCHEMBL9373539 0.89 ROCK1 (0.59) GSTO1ROCK1ROCK2LMNAKCNQ1
SCHEMBL9370712 0.89 LMNA (0.74) GSTO1ROCK1ROCK2LMNACNR2
SCHEMBL9370971 0.87 LMNA (0.61) ROCK1ROCK2LMNACNR2NPC1
SCHEMBL9373930 0.85 ROCK1 (0.56) GSTO1ROCK1ROCK2LMNAKCNQ1
SCHEMBL9370967 0.84 ABL1 (0.62) GSTO1ROCK1ROCK2LMNACNR2
SCHEMBL9370348 0.84 LMNA (0.61) ROCK1ROCK2LMNACNR2NPC1
SCHEMBL9371263 0.84 NPC1 (0.68) GSTO1ROCK1ROCK2LMNACNR2
SCHEMBL9370411 0.81 ACHE (0.67) GSTO1ROCK1ROCK2LMNAKCNQ1

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