SCHEMBL30721176

SCHEMBL30721176

O=C(c1cc(F)cnc1Cl)c1ncncc1Br

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.33
▸ SCN5A Q14524 1/20 0.30
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL30721173 0.86 SCN5A (0.31) SCN5ASCN9A
SCHEMBL30721186 0.84 NTRK1 (0.33) NTRK1
SCHEMBL30721171 0.81 PDE10A (0.34) NTRK1SCN9A
SCHEMBL30721179 0.73 MET (0.36) —
SCHEMBL4705504 0.72 KMT2A (0.47) —
SCHEMBL30721174 0.72 MGLL (0.35) SCN5ASCN9A
SCHEMBL8357219 0.70 SCN5A (0.36) SCN5ASCN9A
SCHEMBL290570 0.70 KEAP1 (0.53) SCN5ASCN9A
SCHEMBL31349524 0.70 KEAP1 (0.53) SCN5ASCN9A
SCHEMBL4966985 0.70 ALDH1A1 (0.36) SCN5ASCN9A

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
CN-115260105-B Aromatic heterocarbamic acid compound and preparation method and application thereof 启东东岳药业有限公司 2024-01-16 — — CN disclosed
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