SCHEMBL4783840

SCHEMBL4783840

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
ROCK1 Q13464 4/20 0.65
ALOX5 P09917 1/20 0.56
MAPT P10636 6/20 0.55
ADORA3 P0DMS8 1/20 0.55
GSTO1 P78417 1/20 0.55
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MAPK1 P28482 3/20 0.55
RECQL P46063 1/20 0.55
PSMD14 O00487 1/20 0.54
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
ROCK2 O75116 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7681302 0.90 ALOX5 (0.71) LMNAALOX5MAPTADORA3GSTO1
SCHEMBL4743979 0.85 ROCK1 (0.87) LMNAROCK1ALOX5MAPTADORA3
SCHEMBL10809273 0.85 LMNA (0.82) LMNAROCK1MAPTADORA3KMT2A
SCHEMBL2559907 0.79 ROCK1 (1.00) LMNAROCK1MAPTADORA3KMT2A
SCHEMBL22125274 0.77 ROCK1 (0.66) LMNAROCK1MAPTADORA3KMT2A
SCHEMBL4555000 0.77 MAPT (0.72) ALOX5MAPTADORA3KMT2AMEN1
SCHEMBL10922743 0.77 KMT2A (0.70) LMNAROCK1ALOX5MAPTKMT2A
SCHEMBL3791737 0.75 GSTO1 (0.72) LMNAROCK1ALOX5MAPTADORA3
SCHEMBL7263150 0.75 VCP (0.80) ALOX5MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4787902 0.74 ABL1 (0.74) LMNAROCK1ALOX5MAPTKMT2A

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