SCHEMBL9370276

SCHEMBL9370276

O=C(Nc1nc(-c2cccnc2)cs1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.70
ROCK2 O75116 2/20 0.62
FAAH O00519 1/20 0.55
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 5/20 0.52
PKM P14618 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
RECQL P46063 1/20 0.48
ESR2 Q92731 1/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL9375127 0.93 ROCK1 (0.64) ROCK1ROCK2FAAHCNR2ALDH1A1
SCHEMBL9370973 0.89 ROCK1 (0.55) ROCK1ROCK2ALDH1A1PKMPOLB
SCHEMBL9371842 0.85 ROCK1 (0.69) ROCK1ROCK2FAAHCNR2ALDH1A1
SCHEMBL9371121 0.84 ROCK1 (0.62) ROCK1ROCK2FAAHCNR2MAPT
SCHEMBL9706553 0.84 ABL1 (0.58) ROCK1ROCK2FAAHCNR2ALDH1A1
SCHEMBL9371475 0.84 ROCK1 (0.54) ROCK1ROCK2FAAHCNR2ALDH1A1
SCHEMBL9374885 0.83 ROCK1 (0.61) ROCK1ROCK2FAAHCNR2ALDH1A1
SCHEMBL9370963 0.83 ROCK1 (0.61) ROCK1ROCK2FAAHCNR2ALDH1A1
SCHEMBL9370393 0.83 ROCK1 (0.61) ROCK1ROCK2FAAHCNR2ALDH1A1
SCHEMBL9376208 0.82 ROCK1 (0.51) ROCK1ROCK2ALDH1A1PKMPOLB

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