SCHEMBL9375833

SCHEMBL9375833

COC(=O)c1ccc(-c2csc(NC(=O)N3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.53
ROCK2 O75116 1/20 0.52
FAAH O00519 1/20 0.49
LMNA P02545 1/20 0.49
GBA1 P04062 6/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9370301 0.93 ROCK1 (0.57) ROCK1ROCK2FAAHLMNAMEN1
SCHEMBL9374511 0.91 GBA1 (0.44) ROCK1ROCK2FAAHLMNAGBA1
SCHEMBL9370831 0.90 ACHE (0.55) ROCK1ROCK2FAAHLMNAMEN1
SCHEMBL9374517 0.87 ROCK1 (0.56) ROCK1ROCK2FAAHLMNAGBA1
SCHEMBL9371112 0.87 ROCK1 (0.56) ROCK1ROCK2FAAHLMNAMEN1
SCHEMBL9375978 0.87 ROCK1 (0.56) ROCK1ROCK2FAAHLMNAGBA1
SCHEMBL9376396 0.87 ROCK1 (0.56) ROCK1ROCK2FAAHLMNAGBA1
SCHEMBL9378618 0.87 ROCK1 (0.56) ROCK1ROCK2FAAHLMNAGBA1
SCHEMBL9371762 0.87 FAAH (0.62) ROCK1ROCK2FAAHLMNAGBA1
SCHEMBL9372912 0.85 LMNA (0.59) ROCK1ROCK2FAAHLMNAMEN1

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