SCHEMBL28373468

SCHEMBL28373468

Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1C

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 8/20 0.81
▸ MAPT P10636 3/20 0.71
▸ POLB P06746 4/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ TDP1 Q9NUW8 3/20 0.63
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ EP300 Q09472 1/20 0.58
▸ LMNA P02545 1/20 0.56
▸ THRB P10828 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ATM Q13315 1/20 0.54

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
SCHEMBL28372353 0.89 SIRT5 (1.00) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28371417 0.86 SIRT5 (1.00) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28376708 0.83 SIRT5 (0.84) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28376711 0.83 SIRT5 (0.85) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28377581 0.82 SIRT5 (0.80) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28372236 0.79 SIRT5 (0.75) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28375995 0.77 SIRT5 (1.00) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28376697 0.76 TDP1 (0.81) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28885526 0.76 SIRT5 (0.75) SIRT5MAPTPOLBNPC1RAB9A
SCHEMBL28376738 0.75 SIRT5 (0.81) SIRT5MAPTPOLBNPC1RAB9A

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-106977474-B Substituted 2-cyano-3-phenyl furan-acrylamide derivative and preparation method and application thereof 四川大学 2020-04-07 — — CN disclosed
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