SCHEMBL29397663

SCHEMBL29397663

CC(C)(C)c1cc(N)n(-c2ccccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
RXRA P19793 3/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
MAPK11 Q15759 2/20 0.39
ABL1 P00519 1/20 0.39
ABL2 P42684 1/20 0.39
MAPK8 P45983 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
PDE4B Q07343 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1011502 1.00 MAPK14 (0.43) MAPK14GRNSORT1RXRANR1H2
SCHEMBL6676733 0.84 RXRA (0.50) RXRANR1H2NR1H3KDM4ETRPV1
SCHEMBL1013289 0.83 ALDH1A1 (0.56) MAPK14GRNSORT1MAPK11KDM4E
SCHEMBL31388014 0.81 MAPK14 (0.40) MAPK14GRNSORT1MAPK11KDM4E
SCHEMBL15007938 0.81 GRN (0.43) MAPK14GRNSORT1MAPK11KDM4E
Hydrochloric Acid SCHEMBL1492473 0.81 ALDH1A1 (0.55) MAPK14GRNSORT1MAPK11KDM4E
SCHEMBL1015406 0.81 MAPK14 (0.40) MAPK14GRNSORT1MAPK11KDM4E
SCHEMBL4514356 0.81 SRC (0.40) MAPK14GRNSORT1MAPK11ABL1
SCHEMBL1408441 0.80 MAPK14 (0.42) MAPK14GRNSORT1MAPK11KDM4E
SCHEMBL29394648 0.79 NR1I2 (0.42) MAPK14GRNSORT1KDM4EALDH1A1

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-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed