SCHEMBL4743979

SCHEMBL4743979

O=C(Nc1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.87
LMNA P02545 3/20 0.87
MAPT P10636 3/20 0.70
ADORA3 P0DMS8 1/20 0.70
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
MAPK1 P28482 3/20 0.68
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 1/20 0.68
ALOX5 P09917 3/20 0.61
RECQL P46063 1/20 0.60
ROCK2 O75116 1/20 0.60
PSMD14 O00487 1/20 0.59

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
SCHEMBL10809273 0.94 LMNA (0.82) ROCK1LMNAMAPTADORA3KMT2A
SCHEMBL2559907 0.93 ROCK1 (1.00) ROCK1LMNAMAPTADORA3KMT2A
SCHEMBL4783840 0.85 LMNA (0.69) ROCK1LMNAMAPTADORA3KMT2A
SCHEMBL10922743 0.85 KMT2A (0.70) ROCK1LMNAMAPTKMT2AMEN1
SCHEMBL22125274 0.83 ROCK1 (0.66) ROCK1LMNAMAPTADORA3KMT2A
SCHEMBL4787902 0.82 ABL1 (0.74) ROCK1LMNAMAPTKMT2AMEN1
SCHEMBL8823169 0.82 MAPT (1.00) ROCK1LMNAMAPTADORA3KMT2A
SCHEMBL28583757 0.81 ALOX5 (0.77) ROCK1LMNAMAPTKMT2AMEN1
SCHEMBL8446308 0.81 KMT2A (0.62) ROCK1LMNAMAPTKMT2AMEN1
SCHEMBL11478316 0.81 LMNA (0.67) ROCK1LMNAMAPTKMT2AMEN1

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
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO claimed
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO disclosed
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO disclosed