SCHEMBL9216048

SCHEMBL9216048

NC(=O)N(O)C1CCc2cc(OCc3c(F)cccc3Cl)ccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.43
RORC P51449 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9213857 0.93 SCN3A (0.51) SCN3A
SCHEMBL9223074 0.85 SCN3A (0.64) SCN3A
SCHEMBL9220961 0.82 SCN3A (0.51) SCN3A
SCHEMBL9216059 0.81 SCN3A (0.45) SCN3A
SCHEMBL9215988 0.81 MAOB (0.46)
SCHEMBL9215265 0.80 LIPG (0.49)
SCHEMBL9215229 0.80 SCN3A (0.53) SCN3A
SCHEMBL9216479 0.77 MAOB (0.54) POLB
SCHEMBL9217208 0.77 MAOB (0.51) SCN3A
SCHEMBL9488175 0.76 PPARD (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995002575-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO claimed
WO-1995002575-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed