SCHEMBL31216422

SCHEMBL31216422

CCCCCC[C@]1(C#N)O[C@@H](c2ccc3c(N)ncnn23)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL25244021 0.86 POLRMT (0.36) POLRMT
SCHEMBL25393982 0.85 POLRMT (0.34) POLRMTMEN1TSHRHTTKMT2A
SCHEMBL25392576 0.84 POLRMT (0.34) POLRMTHTT
SCHEMBL25077429 0.84 POLRMT (0.42) POLRMT
SCHEMBL31216435 0.84 POLRMT (0.42) POLRMTKDM4EMEN1GAATSHR
SCHEMBL25389747 0.82 POLRMT (0.36) POLRMT
SCHEMBL25387226 0.81 POLRMT (0.37) POLRMT
SCHEMBL25391623 0.81 POLRMT (0.35) POLRMT
SCHEMBL25388205 0.81 POLRMT (0.38) POLRMT
SCHEMBL19779082 0.81 POLRMT (0.34) POLRMT

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-118900839-A Antiviral compounds and methods of making and using the same 吉利德科学公司 2024-11-05 — — CN disclosed
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