SCHEMBL31216435

SCHEMBL31216435

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.42
▸ DOT1L Q8TEK3 5/20 0.36
▸ 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
▸ EHMT1 Q9H9B1 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30
▸ TMPRSS2 O15393 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
SCHEMBL31216426 0.88 POLRMT (0.43) POLRMTDOT1LSTING1MAP4K4TMPRSS2
SCHEMBL25391607 0.85 POLRMT (0.42) POLRMTDOT1LKDM4EMEN1TSHR
Hydrochloric Acid SCHEMBL25392678 0.84 POLRMT (0.45) POLRMTDOT1LSTING1MAP4K4TMPRSS2
SCHEMBL23803216 0.84 POLRMT (0.47) POLRMTDOT1LSTING1MAP4K4TMPRSS2
SCHEMBL25391656 0.84 POLRMT (0.42) POLRMTDOT1LMEN1TSHRHTT
SCHEMBL31216422 0.84 POLRMT (0.32) POLRMTKDM4EMEN1GAATSHR
Hydrochloric Acid SCHEMBL25392672 0.83 POLRMT (0.45) POLRMTDOT1LSTING1MAP4K4TMPRSS2
SCHEMBL25388271 0.81 POLRMT (0.45) POLRMTDOT1LKMT2ASTING1TMPRSS2
SCHEMBL25387782 0.81 POLRMT (0.46) POLRMTDOT1LSTING1TMPRSS2
SCHEMBL25392416 0.81 POLRMT (0.44) POLRMTDOT1LSTING1TMPRSS2

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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