SCHEMBL9374209

SCHEMBL9374209

COc1cccc(-c2csc(NC(=O)N3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
MAPK1 P28482 6/20 0.61
ALDH1A1 P00352 9/20 0.60
LMNA P02545 7/20 0.60
HTT P42858 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
TP53 P04637 3/20 0.60
GAA P10253 2/20 0.60
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
HSD17B10 Q99714 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.51
ROCK1 Q13464 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 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
SCHEMBL9370831 0.90 ACHE (0.55) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL9375112 0.90 MEN1 (0.60) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL9371762 0.87 FAAH (0.62) MAPTMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL9370668 0.87 ALDH1A1 (0.69) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL9370560 0.86 ROCK1 (0.52) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL9371238 0.84 ROCK1 (0.49) MAPTMAPK1ROCK1ROCK2FAAH
SCHEMBL9373340 0.84 ALDH1A1 (0.67) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL9375833 0.84 ROCK1 (0.53) MAPTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL9375127 0.84 ROCK1 (0.64) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9370983 0.84 FAAH (0.53) MAPTMAPK1ALDH1A1LMNAHTT

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