SCHEMBL6259385

SCHEMBL6259385

CC(=O)Nc1nc(CCc2ccc(NC(=O)C(NC(=O)O)C(C)(C)C)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.60
MAOB P27338 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4869424 0.84 AOC3 (0.65) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4990368 0.81 AOC3 (0.67) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL6392582 0.80 AOC3 (0.65) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL4876122 0.79 AOC3 (0.71) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL4871898 0.79 AOC3 (0.71) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL27634179 0.79 AOC3 (0.74) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL4865974 0.79 AOC3 (0.58) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4870646 0.78 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3934843 0.78 AOC3 (0.60) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3931009 0.78 AOC3 (0.61) AOC3MAOBSMN1; SMN2KMT2ANPC1

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-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO disclosed