SCHEMBL31203205

SCHEMBL31203205

Nc1ncc(OB(O)O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VRK1 Q99986 1/20 0.34
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CPB2 Q96IY4 1/20 0.31
▸ USP7 Q93009 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
SCHEMBL31185905 0.78 SCN9A (0.31) —
SCHEMBL12563479 0.75 TAAR1 (0.42) USP7
SCHEMBL24696640 0.72 MAP4K4 (0.34) VRK1CPB2
SCHEMBL18125543 0.72 CYP11B1 (0.42) KMT2AUSP7
SCHEMBL16610671 0.71 HDAC1 (0.39) —
SCHEMBL25346943 0.71 PDGFRB (0.40) VRK1HTTKMT2ACPB2USP7
SCHEMBL30723523 0.70 APP (0.38) —
SCHEMBL23641450 0.70 APP (0.38) —
SCHEMBL30508280 0.70 TSHR (0.41) KMT2A
SCHEMBL31181376 0.69 ALDH1A1 (0.45) —

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-118974033-A Bcl-xL inhibitors 百济神州有限公司 2024-11-15 — — CN disclosed
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