SCHEMBL30798877

SCHEMBL30798877

CN(C)C(=O)c1cc(F)c(O)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.44
▸ TTR P02766 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ACLY P53396 1/20 0.35
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ NCEH1 Q6PIU2 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL18629792 0.81 TTR (0.47) TTRALDH1A1SMN1; SMN2HPGDESR1
SCHEMBL30848123 0.80 ERN1 (0.35) ERN1ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL12724992 0.79 TTR (0.41) ERN1TTRALDH1A1SMN1; SMN2HPGD
SCHEMBL21837082 0.79 TTR (0.72) ERN1TTRALDH1A1SMN1; SMN2HPGD
SCHEMBL30848213 0.78 ERN1 (0.34) ERN1ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL30848416 0.78 ERN1 (0.34) ERN1ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL8572282 0.78 CES2 (0.56) ERN1ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL850387 0.78 ERN1 (0.44) ERN1ALDH1A1SMN1; SMN2HPGDESR1
SCHEMBL144208 0.78 ERN1 (0.48) ERN1ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL23111999 0.77 TTR (0.47) ERN1TTRALDH1A1SMN1; SMN2HDAC1

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 2 patents. 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
WO-2024051354-A1 BENZIMIDAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州沪云新药研发股份有限公司 2024-03-14 — — WO disclosed
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