SCHEMBL9370971

SCHEMBL9370971

O=C(Nc1nc(-c2ccc(F)cc2)cs1)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
POLB P06746 1/20 0.60
ROCK1 Q13464 4/20 0.59
ROCK2 O75116 1/20 0.59
KMT2A Q03164 4/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
CNR2 P34972 1/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
MMP2 P08253 1/20 0.53
MMP8 P22894 1/20 0.53
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
CDC25C P30307 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL9375834 0.89 LMNA (0.60) LMNAPOLBROCK1ROCK2KMT2A
SCHEMBL9370963 0.89 ROCK1 (0.61) LMNAPOLBROCK1ROCK2KMT2A
SCHEMBL9370499 0.88 LMNA (0.79) LMNAPOLBROCK1ROCK2KMT2A
SCHEMBL9370494 0.88 LMNA (0.61) LMNAPOLBROCK1ROCK2KMT2A
SCHEMBL9370348 0.88 LMNA (0.61) LMNAROCK1ROCK2KMT2AHDAC1
SCHEMBL9370967 0.88 ABL1 (0.62) LMNAROCK1ROCK2KMT2ACNR2
SCHEMBL9371263 0.87 NPC1 (0.68) LMNAROCK1ROCK2KMT2ACNR2
SCHEMBL9370685 0.87 GSTO1 (0.61) LMNAROCK1ROCK2KMT2ACNR2
SCHEMBL9370411 0.84 ACHE (0.67) LMNAROCK1ROCK2KMT2AMAOA
SCHEMBL9371112 0.84 ROCK1 (0.56) LMNAPOLBROCK1ROCK2KMT2A

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