SCHEMBL7983783

SCHEMBL7983783

N#Cc1cccc(C(=O)NCc2ccc(OCCCCCCOc3ccc(CNC(=O)c4cccc(C#N)c4)cc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
GAA P10253 1/20 0.54
VNN1 O95497 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
ALOX12 P18054 1/20 0.51
RAB9A P51151 1/20 0.51
CHRM3 P20309 1/20 0.51
SMPD1 P17405 1/20 0.50
NAMPT P43490 1/20 0.50
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
MCHR1 Q99705 1/20 0.47

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
SCHEMBL7983889 1.00 MAOB (0.54) MAOBGAAVNN1SMN1; SMN2HTT
SCHEMBL7982716 1.00 MAOB (0.54) MAOBGAAVNN1SMN1; SMN2HTT
SCHEMBL7986109 0.99 MAOB (0.55) MAOBGAAVNN1SMN1; SMN2HTT
SCHEMBL7972494 0.96 MAOB (0.55) MAOBGAAVNN1SMN1; SMN2HTT
SCHEMBL7985996 0.95 GAA (0.56) MAOBGAAVNN1SMN1; SMN2HTT
SCHEMBL7473770 0.90 MAOB (0.57) MAOBGAASMN1; SMN2HTTALDH1A1
SCHEMBL7986757 0.86 EPHX2 (0.64) SMN1; SMN2ALDH1A1LMNA
SCHEMBL7989749 0.86 EPHX2 (0.64) SMN1; SMN2ALDH1A1LMNA
SCHEMBL7986129 0.86 EPHX2 (0.64) SMN1; SMN2ALDH1A1LMNA
SCHEMBL7989764 0.85 GAA (0.53) GAAVNN1SMN1; SMN2HTTNPC1

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