SCHEMBL4974708

SCHEMBL4974708

C#CCNC(=O)c1ccc(-c2nc(-c3c(-c4cccc(F)c4)noc3C)c[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 14/20 0.43
GPBAR1 Q8TDU6 1/20 0.38
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
FAAH O00519 2/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL4972970 0.90 MAPK14 (0.43) GABRA5LMNA
SCHEMBL4973225 0.89 SMN1; SMN2 (0.44) GABRA5GPBAR1LMNATP53MAPT
SCHEMBL4972400 0.87 GABRA5 (0.58) GABRA5
SCHEMBL4973043 0.85 HPGD (0.48) GABRA5MAPT
SCHEMBL4971884 0.85 NPC1 (0.50) GABRA5GPBAR1LMNATP53MAPT
SCHEMBL4973050 0.85 SMN1; SMN2 (0.51) GABRA5LMNA
SCHEMBL4970647 0.84 ALDH1A1 (0.49) GABRA5LMNATP53MAPT
SCHEMBL4971020 0.84 GABRA5 (0.55) GABRA5
SCHEMBL4971834 0.83 CD274 (0.50)
SCHEMBL4971397 0.82 GABRA5 (0.51) GABRA5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO claimed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO disclosed