SCHEMBL9370565

SCHEMBL9370565

O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
LMNA P02545 3/20 0.58
ROCK1 Q13464 3/20 0.57
ROCK2 O75116 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 5/20 0.54
FAAH O00519 1/20 0.51
GFER P55789 1/20 0.50
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9370811 0.93 ROCK1 (0.55) RAB9ALMNAROCK1ROCK2MEN1
SCHEMBL9706497 0.90 RAB9A (0.65) RAB9ALMNAROCK1ROCK2MEN1
SCHEMBL9371080 0.89 RAB9A (0.54) RAB9ALMNAROCK1MEN1KMT2A
SCHEMBL9371121 0.86 ROCK1 (0.62) RAB9ALMNAROCK1ROCK2MEN1
SCHEMBL9373833 0.86 MAPT (0.67) RAB9ALMNAROCK1ROCK2MEN1
SCHEMBL9371423 0.85 RAB9A (0.66) RAB9ALMNAROCK1ROCK2MEN1
SCHEMBL9374885 0.85 ROCK1 (0.61) RAB9ALMNAROCK1ROCK2MEN1
SCHEMBL9370963 0.85 ROCK1 (0.61) LMNAROCK1ROCK2MEN1KMT2A
SCHEMBL9370393 0.85 ROCK1 (0.61) RAB9ALMNAROCK1ROCK2MEN1
SCHEMBL9371125 0.84 ROCK1 (0.63) RAB9ALMNAROCK1ROCK2MEN1

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