SCHEMBL9370671

SCHEMBL9370671

O=C(Nc1nc(-c2ccc(F)cc2)cs1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.55
ROCK2 O75116 2/20 0.55
LMNA P02545 5/20 0.54
KMT2A Q03164 5/20 0.51
POLB P06746 1/20 0.51
FAAH O00519 2/20 0.50
MEN1 O00255 4/20 0.48
MAPK1 P28482 2/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
CDC25C P30307 1/20 0.47
HTT P42858 1/20 0.47
CNR2 P34972 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 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
SCHEMBL9374133 0.95 ROCK1 (0.51) ROCK1ROCK2LMNAKMT2APOLB
SCHEMBL9373080 0.95 ROCK1 (0.51) ROCK1ROCK2LMNAKMT2APOLB
SCHEMBL9371187 0.95 FAAH (0.56) ROCK1ROCK2LMNAKMT2AFAAH
SCHEMBL9370715 0.92 KCNQ1 (0.53) ROCK1ROCK2LMNAKMT2AMEN1
SCHEMBL9374427 0.92 KDM4E (0.53) ROCK1ROCK2LMNAKMT2APOLB
SCHEMBL9374129 0.90 ALDH1A1 (0.53) ROCK1ROCK2LMNAKMT2APOLB
SCHEMBL9370896 0.87 KMT2A (0.50) ROCK1LMNAKMT2APOLBMEN1
SCHEMBL9370361 0.87 FAAH (0.61) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9373432 0.85 FAAH (0.46) ROCK1ROCK2LMNAKMT2APOLB
SCHEMBL9374021 0.84 CACNA2D1 (0.58) ROCK1ROCK2LMNAKMT2AFAAH

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