SCHEMBL17260712

SCHEMBL17260712

CC(=O)c1cnccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ ELANE P08246 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL13320901 0.85 MAPT (0.44) MAPTSIRT3TDP1KDM4ESMN1; SMN2
SCHEMBL29955774 0.83 KDM4C (0.48) MAPTSIRT3TDP1KDM4EKMT2A
SCHEMBL4619119 0.83 KDM4C (0.48) MAPTSIRT3TDP1KDM4EKMT2A
SCHEMBL30874483 0.81 SIRT3 (0.55) MAPTSIRT3TDP1KDM4EKMT2A
SCHEMBL25085773 0.81 ALDH1A1 (0.54) TDP1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL17257170 0.78 SIRT3 (0.37) MAPTSIRT3TDP1KDM4EKMT2A
SCHEMBL17257171 0.78 SIRT3 (0.37) MAPTSIRT3TDP1KDM4EKMT2A
SCHEMBL28317597 0.76 TDP1 (0.50) MAPTSIRT3TDP1KDM4ESMN1; SMN2
SCHEMBL17256872 0.75 HTT (0.35) SIRT3TDP1KDM4ESMN1; SMN2KMT2A
SCHEMBL20384869 0.75 HTT (0.35) SIRT3TDP1KDM4ESMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143055-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2017-03-22 — — EP claimed
WO-2015175280-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-11-19 — — WO claimed
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