SCHEMBL30626039

SCHEMBL30626039

O=S(=O)(Oc1ccccc1)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.47
▸ CA2 P00918 5/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ PKM P14618 4/20 0.41
▸ PKLR P30613 3/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL3790743 0.82 CA1 (0.49) CA1CA2CA9KMT2AMEN1
SCHEMBL19280567 0.80 KMT2A (0.67) CA1CA2CA9KMT2AMEN1
SCHEMBL30626035 0.80 KMT2A (0.67) CA1CA2CA9KMT2AMEN1
SCHEMBL544826 0.75 HTR6 (0.44) CA1CA2CA9KMT2AMEN1
SCHEMBL16467626 0.72 PKM (0.45) PKMPKLRHTR6LMNAKEAP1
SCHEMBL8202370 0.72 PKM (0.45) KMT2APKMPKLRHTR6SMN1; SMN2
SCHEMBL3792465 0.72 TDP1 (0.56) CA1CA2CA9KMT2AMEN1
SCHEMBL15453544 0.72 SLC22A12 (0.41) KMT2AMEN1PKMPKLRHTR6
SCHEMBL30626033 0.72 TDP1 (0.51) CA1CA2CA9KMT2AMEN1
SCHEMBL30626037 0.72 PGR (0.54) CA1CA2CA9KMT2AMEN1

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-117186028-A Thiadiazole amide compound containing sulfonate structure, and preparation method and application thereof 贵州大学 2023-12-08 — — CN disclosed
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