SCHEMBL9370676

SCHEMBL9370676

COc1ccc(-c2csc(NC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.64
ROCK2 O75116 1/20 0.64
ALDH1A1 P00352 5/20 0.63
MAPK1 P28482 5/20 0.63
MAPT P10636 3/20 0.63
RAB9A P51151 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
MMP2 P08253 1/20 0.56
MMP8 P22894 1/20 0.56
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 2/20 0.56
HTT P42858 2/20 0.56
KCNQ1 P51787 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL9706502 0.88 MAPT (0.58) ALDH1A1MAPK1MAPTRAB9ATDP1
SCHEMBL9370910 0.87 ROCK1 (0.68) ROCK1ROCK2MAPK1MMP2MMP8
SCHEMBL9376980 0.87 ROCK1 (0.68) ROCK1ROCK2MAPK1MAPTMMP2
SCHEMBL9370731 0.87 ROCK1 (0.71) ROCK1ROCK2ALDH1A1MAPK1MAPT
SCHEMBL9370715 0.86 KCNQ1 (0.53) ROCK1ROCK2ALDH1A1MAPK1MAPT
SCHEMBL9706492 0.84 ACHE (0.62) ROCK1ROCK2ALDH1A1MAPK1MAPT
SCHEMBL9370662 0.84 ACHE (0.60) ROCK1ROCK2ALDH1A1MAPK1MAPT
SCHEMBL9371125 0.83 ROCK1 (0.63) ROCK1ROCK2ALDH1A1MAPK1MAPT
SCHEMBL9376371 0.83 LMNA (0.78) ROCK1ROCK2ALDH1A1MAPK1MAPT
SCHEMBL9370411 0.83 ACHE (0.67) ROCK1ROCK2ALDH1A1MAPK1MAPT

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