SCHEMBL17269682

SCHEMBL17269682

c1ccc(-c2cnc(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 6/20 1.00
▸ SCN2A Q99250 6/20 0.81
▸ HPGDS O60760 8/20 0.79
▸ JAK2 O60674 1/20 0.61

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
SCHEMBL85047 1.00 NPY5R (1.00) NPY5RSCN2AHPGDSJAK2
SCHEMBL2174976 0.90 SCN2A (1.00) NPY5RSCN2AHPGDS
SCHEMBL2315197 0.89 HPGDS (1.00) NPY5RSCN2AHPGDS
SCHEMBL17283469 0.88 SCN2A (0.96) NPY5RSCN2AHPGDS
SCHEMBL27815625 0.84 NPY5R (0.87) NPY5RSCN2AHPGDS
SCHEMBL10773462 0.82 NPY5R (0.70) NPY5RSCN2AHPGDSJAK2
SCHEMBL27817123 0.80 SCN2A (0.79) NPY5RSCN2AHPGDS
SCHEMBL27843962 0.80 SCN2A (0.79) NPY5RSCN2AHPGDS
SCHEMBL27815623 0.80 SCN2A (0.79) NPY5RSCN2AHPGDS
SCHEMBL32681493 0.79 SCN2A (0.71) NPY5RSCN2AHPGDS

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-2015173321-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A PARTICULAR IMIDAZOLE COUPLER AND AN OXIDATION BASE L'OREAL (FR) 2015-11-19 — — WO disclosed
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