SCHEMBL28813440

SCHEMBL28813440

COc1c(CC#N)c(O)c(OC)c2occc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 6/20 0.52
KCNA2 P16389 1/20 0.43
KCNA4 P22459 1/20 0.43
KCNA5 P22460 1/20 0.43
KCNA1 Q09470 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL29915583 1.00 KCNA3 (0.52) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL10910633 0.77 KCNA3 (0.56) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL1426091 0.76 KCNA3 (0.65) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL11539828 0.72 KCNA3 (0.60) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL9127225 0.69 KCNA3 (0.78) KCNA3ALDH1A1LMNAMAPTMAPK1
SCHEMBL3189671 0.69 KCNA3 (1.00) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL10371094 0.68 KCNA3 (0.62) KCNA3ALDH1A1LMNAMAPTMAPK1
SCHEMBL10632361 0.68 KCNA3 (0.67) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL10921411 0.68 KCNA3 (0.76) KCNA3ALDH1A1LMNAMAPTMAPK1
SCHEMBL10925069 0.68 KCNA3 (0.76) KCNA3ALDH1A1LMNAMAPTMAPK1

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-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN disclosed