SCHEMBL30858974

SCHEMBL30858974

[2H]C([2H])([2H])Oc1cnc(Cl)cc1-c1cc(C([2H])([2H])[2H])ncc1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 17/20 0.49
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DPP4 P27487 2/20 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
SCHEMBL30859058 0.85 POLQ (0.48) POLQ
SCHEMBL31167806 0.85 DPP4 (0.50) POLQDPP4
SCHEMBL30858959 0.82 POLQ (0.53) POLQ
SCHEMBL30858982 0.80 POLQ (0.54) POLQ
SCHEMBL30858984 0.79 POLQ (0.51) POLQ
SCHEMBL24501618 0.78 POLQ (0.45) POLQDPP4
SCHEMBL30640084 0.78 POLQ (0.45) POLQDPP4
SCHEMBL30858972 0.77 POLQ (0.51) POLQ
SCHEMBL24769604 0.77 POLQ (0.44) POLQDPP4
SCHEMBL24500339 0.77 POLQ (0.61) POLQ

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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