SCHEMBL28232186

SCHEMBL28232186

CCCCCc1c(N)ccc(Nc2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNH3 Q9ULD8 1/20 0.42
GAA P10253 8/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TLR8 Q9NR97 6/20 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
SCHEMBL28313595 0.95 MAPT (0.43) MAPTLMNAHTTHSD17B10SMN1; SMN2
SCHEMBL28292241 0.88 MAPT (0.44) MAPTLMNAHTTHSD17B10SMN1; SMN2
SCHEMBL7098349 0.85 MAPT (0.44) MAPTLMNAHTTHSD17B10SMN1; SMN2
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL1415255 0.84 MAPT (0.48) MAPTLMNAHTTHSD17B10SMN1; SMN2
SCHEMBL27512209 0.84 MAPT (0.43) MAPTLMNAHTTHSD17B10SMN1; SMN2
SCHEMBL2035899 0.76 GAA (0.55) MAPTLMNAHTTHSD17B10SMN1; SMN2
SCHEMBL28621111 0.75 SKP2 (0.46) MAPTLMNAHSD17B10SMN1; SMN2GAA
SCHEMBL29899667 0.75 HTT (0.45) MAPTLMNAHTTHSD17B10SMN1; SMN2
SCHEMBL1810942 0.74 MAPT (0.42) MAPTLMNAHTTHSD17B10SMN1; SMN2
SCHEMBL21628245 0.73 TLR8 (0.46) MAPTLMNAHTTHSD17B10SMN1; SMN2

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-105324430-B Pneumatic tire 住友橡胶工业株式会社 2018-08-07 CN disclosed