SCHEMBL4453426

SCHEMBL4453426

O=[N+]([O-])c1ccccc1-n1nccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HCAR1 Q9BXC0 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL11862671 0.81 HCAR1 (0.47) KMT2AHTTHSD17B10HCAR1ALDH1A1
SCHEMBL30426426 0.77 ALDH1A1 (0.52) KMT2AHTTHSD17B10HCAR1ALDH1A1
SCHEMBL5242261 0.77 ALDH1A1 (0.52) KMT2AHTTHSD17B10HCAR1ALDH1A1
SCHEMBL31716936 0.75 TSHR (0.55) KMT2AHTTALDH1A1MAPTMEN1
SCHEMBL20766723 0.75 ALDH1A1 (0.37) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL17743399 0.75 ALDH1A1 (0.53) KMT2AHTTHSD17B10ALDH1A1L3MBTL1
SCHEMBL10550799 0.73 HCAR1 (0.47) KMT2AHTTHSD17B10HCAR1ALDH1A1
SCHEMBL9179941 0.73 KMT2A (0.38) KMT2AHTTHSD17B10HCAR1ALDH1A1
SCHEMBL1274938 0.72 HTT (0.73) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL1320968 0.72 GRIK1 (0.49) KMT2AHTTHSD17B10HCAR1ALDH1A1

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 — — WO disclosed
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