SCHEMBL30848231

SCHEMBL30848231

N#Cc1cc(C(=O)O)cc(Br)c1CO

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TPMT P51580 2/20 0.36
XDH P47989 2/20 0.34
DAO P14920 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL29171894 1.00 TTR (0.44) TTRALDH1A1HPGDTPMTXDH
SCHEMBL30848232 0.85 HTT (0.37) ALDH1A1
SCHEMBL29172047 0.85 HTT (0.37) ALDH1A1
SCHEMBL5550394 0.82 TTR (0.58) TTRALDH1A1HPGDTPMT
SCHEMBL29171956 0.81 KDM4E (0.39) ALDH1A1XDH
SCHEMBL30848324 0.81 AR (0.34) ALDH1A1HPGD
SCHEMBL29187442 0.76 TTR (0.47) TTRALDH1A1HPGDTPMTXDH
SCHEMBL29172061 0.74 CYP11B1 (0.35) TTR
SCHEMBL29172048 0.74 TTR (0.48) TTRALDH1A1HPGDTPMT
SCHEMBL30848312 0.74 TTR (0.48) TTRALDH1A1HPGDTPMT

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