SCHEMBL30848213

SCHEMBL30848213

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.34
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ TACR2 P21452 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ ANPEP P15144 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NCEH1 Q6PIU2 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ACLY P53396 1/20 0.30
▸ SIRT2 Q8IXJ6 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
SCHEMBL30848187 0.82 TTR (0.46) SMN1; SMN2ALDH1A1HPGDHDAC1HDAC6
SCHEMBL29172054 0.82 TTR (0.46) SMN1; SMN2ALDH1A1HPGDHDAC1HDAC6
SCHEMBL29171886 0.81 HTT (0.41) POLBSMN1; SMN2ALDH1A1HDAC1HDAC6
SCHEMBL30848020 0.81 HTT (0.41) POLBSMN1; SMN2ALDH1A1HDAC1HDAC6
SCHEMBL30798877 0.78 ERN1 (0.44) ERN1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL29171871 0.78 NOTUM (0.48) POLBALDH1A1PDK2L3MBTL1
SCHEMBL30848332 0.78 MAPT (0.34) HPGDL3MBTL1
SCHEMBL1002662 0.76 ERN1 (0.42) ERN1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL30848123 0.73 ERN1 (0.35) ERN1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL29172074 0.72 KMT2A (0.40) SMN1; SMN2ALDH1A1HPGDRIPK1HTT

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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