SCHEMBL30848096

SCHEMBL30848096

CC(O)c1c(Br)cc(C(=O)N(C)C)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL30848118 0.84 TTR (0.42) HPGDALDH1A1LMNAHTT
SCHEMBL29171967 0.84 TTR (0.42) HPGDALDH1A1LMNAHTT
SCHEMBL30848072 0.82 HTT (0.39) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL29172088 0.82 HTT (0.39) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL29171976 0.80 KMT2A (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30798713 0.79 TTR (0.39) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL30848416 0.78 ERN1 (0.34) HPGDALDH1A1HTTKMT2A
SCHEMBL30848324 0.75 AR (0.34) MAPTHPGDALDH1A1
SCHEMBL30848332 0.74 MAPT (0.34) MAPTHPGD
SCHEMBL29172083 0.72 CYP11B1 (0.38) MEN1KMT2A

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-117720472-A Benzimidazole compound, and preparation method and application thereof 苏州沪云新药研发股份有限公司 2024-03-19 — — CN disclosed
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