SCHEMBL30848312

SCHEMBL30848312

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.48
TPMT P51580 4/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CA3 P07451 1/20 0.38
MAPT P10636 1/20 0.38
SELL P14151 1/20 0.38
HPGD P15428 1/20 0.38
SELP P16109 1/20 0.38
FUT4 P22083 1/20 0.38

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
SCHEMBL29172048 1.00 TTR (0.48) TTRTPMTLMNAMAPK1CA12
SCHEMBL13304068 0.86 LMNA (0.44) TTRTPMTLMNAMAPK1CA12
SCHEMBL5550394 0.86 TTR (0.58) TTRTPMTLMNAMAPK1CA12
SCHEMBL31614863 0.85 TTR (0.48) TTRTPMTLMNAMAPK1CA12
SCHEMBL30848158 0.84 HTT (0.40) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29171993 0.84 HTT (0.40) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29172046 0.80 NOTUM (0.45) LMNACA12CA1CA2CA7
SCHEMBL30848123 0.80 ERN1 (0.35) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL27797038 0.78 TTR (0.42) TTRTPMTLMNAMAPK1CA12
SCHEMBL19116220 0.78 TTR (0.48) TTRTPMTLMNAMAPK1CA12

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