SCHEMBL30859080

SCHEMBL30859080

[2H]C([2H])([2H])Oc1cnc(Cl)cc1B(O)O

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL1191784 0.87 ENPP2 (0.39) EGFRNPC1POLBRAB9A
SCHEMBL29694733 0.87 ENPP2 (0.39) EGFRNPC1POLBRAB9A
SCHEMBL24769550 0.77 DGAT1 (0.37) NPC1RAB9A
SCHEMBL18224040 0.75 NPC1 (0.32) NPC1POLBRAB9A
Lithium Ion SCHEMBL29954740 0.75 NPC1 (0.35) NPC1POLBRAB9A
SCHEMBL15009942 0.73 ENPP2 (0.39) EGFRNPC1POLBRAB9A
SCHEMBL1667932 0.71 ENPP2 (0.38) EGFRPOLBRAB9A
SCHEMBL31436650 0.71 — —
SCHEMBL2714951 0.71 MEN1 (0.32) —
SCHEMBL29951515 0.71 MEN1 (0.32) —

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-117946138-A And ring nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2024-04-30 — — CN disclosed
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