SCHEMBL9370831

SCHEMBL9370831

COc1ccc(-c2csc(NC(=O)N3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
ROCK1 Q13464 3/20 0.54
ROCK2 O75116 1/20 0.53
LMNA P02545 7/20 0.52
MAPK1 P28482 4/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 2/20 0.51
GAA P10253 1/20 0.51
GSTO1 P78417 1/20 0.50
KCNQ1 P51787 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 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
SCHEMBL9370662 0.93 ACHE (0.60) ACHEROCK1ROCK2LMNAMAPK1
SCHEMBL9374209 0.90 MAPT (0.61) ROCK1ROCK2LMNAMAPK1ALDH1A1
SCHEMBL9375833 0.90 ROCK1 (0.53) ACHEROCK1ROCK2LMNAMAPK1
SCHEMBL9371161 0.89 ACHE (0.51) ACHELMNAMAPK1ALDH1A1RAB9A
SCHEMBL9375978 0.88 ROCK1 (0.56) ROCK1ROCK2LMNAALDH1A1RAB9A
SCHEMBL9378618 0.88 ROCK1 (0.56) ROCK1ROCK2LMNAMAPK1ALDH1A1
SCHEMBL9374517 0.88 ROCK1 (0.56) ACHEROCK1ROCK2LMNAALDH1A1
SCHEMBL9376396 0.88 ROCK1 (0.56) ROCK1ROCK2LMNAMAPK1ALDH1A1
SCHEMBL9371112 0.88 ROCK1 (0.56) ROCK1ROCK2LMNAMAPK1ALDH1A1
SCHEMBL9371762 0.88 FAAH (0.62) ROCK1ROCK2LMNAMAPK1ALDH1A1

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