SCHEMBL30848145

SCHEMBL30848145

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TRPV4 Q9HBA0 2/20 0.32
▸ ADRB2 P07550 2/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL29172009 1.00 AR (0.34) ARL3MBTL1TRPV4ADRB2GABRA1
SCHEMBL29172074 0.76 KMT2A (0.40) MEN1KMT2AGAA
SCHEMBL30848412 0.76 TTR (0.42) ARL3MBTL1KMT2A
SCHEMBL29172058 0.76 TTR (0.42) ARL3MBTL1KMT2A
SCHEMBL29171908 0.76 ADRB2 (0.32) L3MBTL1ADRB2
SCHEMBL30848160 0.76 ADRB2 (0.32) L3MBTL1ADRB2
SCHEMBL30848234 0.74 TSHR (0.39) L3MBTL1ADRB2MEN1KMT2A
SCHEMBL29171913 0.74 TSHR (0.39) L3MBTL1ADRB2MEN1KMT2A
SCHEMBL25237207 0.72 TRPV4 (0.36) TRPV4MEN1KMT2A
SCHEMBL31156325 0.72 TRPV4 (0.36) TRPV4MEN1KMT2A

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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