SCHEMBL9370560

SCHEMBL9370560

Nc1cccc(-c2csc(NC(=O)N3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.52
ROCK2 O75116 1/20 0.51
FAAH O00519 1/20 0.50
HDAC3 O15379 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
CNR2 P34972 1/20 0.46
NCOR2 Q9Y618 1/20 0.45
MAPT P10636 4/20 0.44
MAPK1 P28482 4/20 0.44
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL9374517 0.90 ROCK1 (0.56) ROCK1ROCK2FAAHCNR2MAPT
SCHEMBL9371762 0.89 FAAH (0.62) ROCK1ROCK2FAAHCNR2MAPT
SCHEMBL9370955 0.89 HDAC3 (0.43) ROCK1HDAC3HDAC1HDAC2HDAC10
SCHEMBL9371238 0.86 ROCK1 (0.49) ROCK1ROCK2FAAHCNR2MAPT
SCHEMBL9374209 0.86 MAPT (0.61) ROCK1ROCK2FAAHMAPTMAPK1
SCHEMBL9371260 0.86 HDAC3 (0.56) ROCK1ROCK2FAAHHDAC3HDAC1
SCHEMBL9375127 0.86 ROCK1 (0.64) ROCK1ROCK2FAAHCNR2MAPT
SCHEMBL9371024 0.86 KMT2A (0.54) ROCK1HDAC3HDAC1HDAC2HDAC10
SCHEMBL9374015 0.84 ABL1 (0.53) ROCK1ROCK2FAAHMAPTLMNA
SCHEMBL9378618 0.84 ROCK1 (0.56) ROCK1ROCK2FAAHCNR2MAPT

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