SCHEMBL29793403

SCHEMBL29793403

CCOc1ccc(NC(=O)C(C)C)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNB1 Q14721 13/20 0.59
▸ KCNA5 P22460 6/20 0.59
▸ KCNH2 Q12809 4/20 0.59
▸ KCNK2 O95069 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.50
▸ RORC P51449 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL28402845 0.88 KCNB1 (0.60) KCNB1KCNA5KCNH2KCNK2TDP1
SCHEMBL13077332 0.88 KCNB1 (0.60) KCNB1KCNA5KCNH2KCNK2TDP1
SCHEMBL28408420 0.86 KCNB1 (0.60) KCNB1KCNA5KCNH2KCNK2TDP1
SCHEMBL28406257 0.80 KCNB1 (0.77) KCNB1KCNA5KCNH2KCNK2
SCHEMBL29793640 0.80 KCNB1 (0.72) KCNB1KCNA5KCNH2KCNK2TSHR
SCHEMBL28890737 0.80 KCNB1 (0.72) KCNB1KCNA5KCNH2KCNK2TSHR
SCHEMBL29793697 0.80 KCNB1 (0.77) KCNB1KCNA5KCNH2KCNK2
SCHEMBL13815085 0.79 MAPT (0.52) MAPT
SCHEMBL28408170 0.78 KCNB1 (0.81) KCNB1KCNA5KCNH2KCNK2
SCHEMBL28402836 0.77 KCNB1 (0.63) KCNB1KCNA5KCNH2KCNK2

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-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 — — CN disclosed
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