SCHEMBL10338293

SCHEMBL10338293

N#Cc1cc2ccccc2c(O)c1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
KMT2A Q03164 1/20 0.59
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
PTPN22 Q9Y2R2 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
CASP6 P55212 1/20 0.39
ANPEP P15144 1/20 0.38
NQO2 P16083 1/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL31457372 0.82 CLK1 (0.49) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL28869476 0.82 CLK1 (0.49) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL1699621 0.80 ALDH1A1 (0.57) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL8524167 0.79 CLK1 (0.46) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL9453843 0.78 CLK1 (0.45) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL3961346 0.78 DYRK1A (0.45) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL11845987 0.78 KDM4E (0.47) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL10829252 0.78 CLK1 (0.45) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL8955230 0.78 DYRK1A (0.45) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL7307452 0.78 CA1 (0.46) KDM4EALDH1A1GAAMEN1MAPT

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
JP-2053761-A None JP disclosed
JP-H0253761-A DICYANONAPHTHALENE-BASED COMPOUND AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1990-02-22 JP disclosed