SCHEMBL28313595

SCHEMBL28313595

CCCCc1c(N)ccc(Nc2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
GAA P10253 8/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 4/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GFER P55789 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.38
SKP2 Q13309 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
SCHEMBL28232186 0.95 MAPT (0.44) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL7098349 0.89 MAPT (0.44) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL27512209 0.88 MAPT (0.43) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL28292241 0.84 MAPT (0.44) MAPTGAAALDH1A1KDM4EMEN1
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL1415255 0.80 MAPT (0.48) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2035899 0.77 GAA (0.55) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL8026165 0.77 MAPT (0.40) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL5713301 0.77 SKP2 (0.43) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL27495210 0.74 SKP2 (0.52) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL7706521 0.74 SKP2 (0.43) MAPTGAAALDH1A1KDM4EMEN1

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-110087907-A Rubber composition comprising specific hydrocarbon resins 米其林集团总公司 2019-08-02 CN disclosed