SCHEMBL30848187

SCHEMBL30848187

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.46
▸ TPMT P51580 2/20 0.40
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SELL P14151 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SELP P16109 1/20 0.35

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
SCHEMBL29172054 1.00 TTR (0.46) TTRTPMTLMNAMAPK1HTT
SCHEMBL29171886 0.85 HTT (0.41) LMNAHTTKDM4EALDH1A1MAPT
SCHEMBL30848020 0.85 HTT (0.41) LMNAHTTKDM4EALDH1A1MAPT
SCHEMBL30848213 0.82 ERN1 (0.34) HTTALDH1A1HPGDSMN1; SMN2HDAC1
SCHEMBL29171871 0.82 NOTUM (0.48) LMNARAB9ACA12CA1CA2
SCHEMBL14703661 0.77 MAPK1 (0.44) TTRTPMTLMNAMAPK1HTT
SCHEMBL9478920 0.77 TTR (0.56) TTRTPMTLMNAMAPK1CA12
SCHEMBL29172074 0.76 KMT2A (0.40) HTTALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL29172058 0.76 TTR (0.42) TTRTPMTLMNAALDH1A1HPGD
SCHEMBL14958073 0.74 MYC (0.31) CA2ALDH1A1SELLSELPSMN1; SMN2

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
Send feedback