SCHEMBL9370731

SCHEMBL9370731

O=C(Nc1nc(-c2ccccc2)cs1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.71
ROCK2 O75116 2/20 0.71
MMP2 P08253 1/20 0.67
MMP8 P22894 1/20 0.67
FAAH O00519 1/20 0.65
GLA P06280 1/20 0.60
CNR2 P34972 1/20 0.59
LMNA P02545 4/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
RECQL P46063 1/20 0.54
NPY5R Q15761 1/20 0.54
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL9370910 0.89 ROCK1 (0.68) ROCK1ROCK2MMP2MMP8FAAH
SCHEMBL9376980 0.89 ROCK1 (0.68) ROCK1ROCK2MMP2MMP8FAAH
SCHEMBL9376900 0.89 ROCK1 (0.71) ROCK1ROCK2MMP2MMP8FAAH
SCHEMBL9376473 0.88 ROCK1 (0.60) ROCK1ROCK2MMP2MMP8FAAH
SCHEMBL9371002 0.87 MMP2 (0.61) ROCK1ROCK2MMP2MMP8FAAH
SCHEMBL9370676 0.87 ROCK1 (0.64) ROCK1ROCK2MMP2MMP8LMNA
SCHEMBL9371125 0.86 ROCK1 (0.63) ROCK1ROCK2MMP2MMP8FAAH
SCHEMBL9371187 0.84 FAAH (0.56) ROCK1ROCK2MMP2MMP8FAAH
SCHEMBL2560351 0.83 ROCK1 (1.00) ROCK1ROCK2MMP2MMP8FAAH
SCHEMBL9370963 0.83 ROCK1 (0.61) ROCK1ROCK2MMP2MMP8FAAH

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