SCHEMBL7985996

SCHEMBL7985996

N#Cc1cccc(C(=O)NCc2ccc(OCCOc3ccc(CNC(=O)c4cccc(C#N)c4)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
VNN1 O95497 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
ALOX12 P18054 1/20 0.53
RAB9A P51151 1/20 0.53
MAOB P27338 1/20 0.53
CHRM3 P20309 1/20 0.53
SMPD1 P17405 1/20 0.52
KMT2A Q03164 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL7972494 0.96 MAOB (0.55) GAAVNN1SMN1; SMN2HTTNPC1
SCHEMBL7986109 0.96 MAOB (0.55) GAAVNN1SMN1; SMN2HTTNPC1
SCHEMBL7983889 0.95 MAOB (0.54) GAAVNN1SMN1; SMN2HTTNPC1
SCHEMBL7983783 0.95 MAOB (0.54) GAAVNN1SMN1; SMN2HTTNPC1
SCHEMBL7982716 0.95 MAOB (0.54) GAAVNN1SMN1; SMN2HTTNPC1
SCHEMBL7534226 0.87 EPHX2 (0.53) SMN1; SMN2ALDH1A1DRD2DRD3HRH3
SCHEMBL7989764 0.87 GAA (0.53) GAAVNN1SMN1; SMN2HTTNPC1
SCHEMBL17142140 0.86 HDAC2 (0.64) GAAVNN1SMN1; SMN2HTTNPC1
SCHEMBL5091359 0.85 CHRM3 (0.54) GAAVNN1CHRM3
SCHEMBL7233161 0.85 CHRM3 (0.54) GAAVNN1CHRM3SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed