SCHEMBL6463171

SCHEMBL6463171

CC(=O)Nc1nc(CCc2ccc(N(C(=O)O)C(C)(C)C)cc2)c(C(=O)Nc2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.44
RAB9A P51151 6/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL4982462 0.89 SCD (0.46) AOC3RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4875622 0.86 AOC3 (0.40) AOC3
SCHEMBL4983295 0.85 AOC3 (0.42) AOC3RAB9AALDH1A1NPC1KDM4E
SCHEMBL4985427 0.84 AOC3 (0.41) AOC3RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4875643 0.84 AOC3 (0.39) AOC3ALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL4871754 0.84 AOC3 (0.51) AOC3RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4877861 0.83 GLS (0.48) AOC3RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4875983 0.83 AOC3 (0.38) AOC3NPC1CYP1A2CYP2C9MEN1
SCHEMBL4863646 0.82 AOC3 (0.47) AOC3RAB9ANPC1MAPTRXFP1
SCHEMBL4991524 0.82 AOC3 (0.40) AOC3

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
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed