SCHEMBL30848158

SCHEMBL30848158

NC(=O)c1cc(F)c(CO)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
STING1 Q86WV6 4/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DGAT1 O75907 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL29171993 1.00 HTT (0.40) HTTTSHRAPOBEC3AAPOBEC3GSTING1
SCHEMBL30848312 0.84 TTR (0.48) HTTTSHRSTING1ALDH1A1SMN1; SMN2
SCHEMBL29172048 0.84 TTR (0.48) HTTTSHRSTING1ALDH1A1SMN1; SMN2
SCHEMBL30848123 0.78 ERN1 (0.35) HTTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29172046 0.78 NOTUM (0.45) ALDH1A1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL15020381 0.77 CES2 (0.46) HTTTSHRAPOBEC3AAPOBEC3GSTING1
SCHEMBL23111999 0.76 TTR (0.47) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL1854573 0.75 TSHR (0.46) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL29172047 0.75 HTT (0.37) HTTTSHRAPOBEC3AAPOBEC3GSTING1
SCHEMBL30848232 0.75 HTT (0.37) HTTTSHRAPOBEC3AAPOBEC3GSTING1

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