SCHEMBL7986146

SCHEMBL7986146

NCc1ccc(OCCCCCCCOc2ccc(CN)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
MAOB P27338 6/20 0.53
ST14 Q9Y5Y6 3/20 0.52
PRMT1 Q99873 3/20 0.50
F2 P00734 2/20 0.50
PLAU P00749 1/20 0.50
PRMT5 O14744 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
TMPRSS2 O15393 1/20 0.50
PTP4A3 O75365 1/20 0.50
SLC22A3 O75751 1/20 0.50
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
S100B P04271 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50

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
SCHEMBL12990053 1.00 KEAP1 (0.62) KEAP1NFE2L2MAOBST14PRMT1
SCHEMBL12408533 1.00 KEAP1 (0.62) KEAP1NFE2L2MAOBST14PRMT1
SCHEMBL7983918 1.00 KEAP1 (0.62) KEAP1NFE2L2MAOBST14PRMT1
SCHEMBL7988040 0.98 KEAP1 (0.64) KEAP1NFE2L2MAOBST14
SCHEMBL7388158 0.93 KEAP1 (0.64) KEAP1NFE2L2MAOBST14
SCHEMBL7973439 0.90 KEAP1 (0.67) KEAP1NFE2L2MAOBST14HRH3
SCHEMBL9307111 0.90 NR5A1 (0.61) KEAP1NFE2L2
SCHEMBL14734621 0.90 KEAP1 (0.53) KEAP1NFE2L2MAOBST14PRMT1
SCHEMBL6717278 0.90 NR5A1 (0.61) KEAP1NFE2L2
SCHEMBL16584080 0.90 NR5A1 (0.61) KEAP1NFE2L2

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