SCHEMBL30848003

SCHEMBL30848003

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPV4 Q9HBA0 2/20 0.32

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
SCHEMBL29172083 1.00 CYP11B1 (0.38) CYP11B1CYP11B2MEN1KMT2ATRPV4
SCHEMBL23834717 0.76 KMT2A (0.36) MEN1KMT2A
SCHEMBL29921092 0.76 KMT2A (0.36) MEN1KMT2A
SCHEMBL30848245 0.76 KDM4E (0.30) —
SCHEMBL30848118 0.76 TTR (0.42) —
SCHEMBL29172038 0.76 KDM4E (0.30) —
SCHEMBL29171967 0.76 TTR (0.42) —
SCHEMBL30848072 0.74 HTT (0.39) CYP11B2MEN1KMT2A
SCHEMBL29172088 0.74 HTT (0.39) CYP11B2MEN1KMT2A
SCHEMBL25237207 0.72 TRPV4 (0.36) CYP11B1CYP11B2MEN1KMT2ATRPV4

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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