SCHEMBL30848416

SCHEMBL30848416

CC(O)c1c(F)cc(C(=O)N(C)C)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MET P08581 1/20 0.31
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30
▸ NCEH1 Q6PIU2 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL30848115 0.82 TTR (0.46) ALDH1A1SMN1; SMN2HPGDHDAC1HDAC6
SCHEMBL29172086 0.82 TTR (0.46) ALDH1A1SMN1; SMN2HPGDHDAC1HDAC6
SCHEMBL29171955 0.81 TSHR (0.41) ALDH1A1SMN1; SMN2HDAC1HDAC6CES2
SCHEMBL30848134 0.81 TSHR (0.41) ALDH1A1SMN1; SMN2HDAC1HDAC6CES2
SCHEMBL30798877 0.78 ERN1 (0.44) ERN1POLBALDH1A1SMN1; SMN2HPGD
SCHEMBL29171972 0.78 NOTUM (0.44) POLBALDH1A1KMT2A
SCHEMBL30848096 0.78 MAPT (0.32) ALDH1A1HPGDHTTKMT2A
SCHEMBL30848123 0.73 ERN1 (0.35) ERN1ANPEPPOLBALDH1A1SMN1; SMN2
SCHEMBL23834717 0.72 KMT2A (0.36) ALDH1A1SMN1; SMN2HPGDCES2CES1
SCHEMBL29921092 0.72 KMT2A (0.36) ALDH1A1SMN1; SMN2HPGDCES2CES1

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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