SCHEMBL9376396

SCHEMBL9376396

O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.56
ROCK2 O75116 1/20 0.56
LMNA P02545 4/20 0.50
FAAH O00519 1/20 0.50
ABL1 P00519 1/20 0.50
GBA1 P04062 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 4/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 3/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
GSTO1 P78417 1/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 3/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9378618 1.00 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHABL1
SCHEMBL9371121 0.94 ROCK1 (0.62) ROCK1ROCK2LMNAFAAHABL1
SCHEMBL9374015 0.90 ABL1 (0.53) ROCK1ROCK2LMNAFAAHABL1
SCHEMBL9371112 0.90 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHRAB9A
SCHEMBL9374517 0.90 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHGBA1
SCHEMBL9375978 0.90 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHGBA1
SCHEMBL9371762 0.90 FAAH (0.62) ROCK1ROCK2LMNAFAAHGBA1
SCHEMBL9374237 0.88 KMT2A (0.53) ROCK1LMNAABL1GBA1RAB9A
SCHEMBL9370781 0.88 KMT2A (0.53) ROCK1LMNAABL1GBA1RAB9A
SCHEMBL9373930 0.88 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHGSTO1

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