SCHEMBL30174285

SCHEMBL30174285

Cc1cnc(C(N)=O)c(=O)n1-c1ccc(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TYK2 P29597 2/20 0.36
GRM5 P41594 2/20 0.33
MAPK14 Q16539 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
GRM1 Q13255 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC27A1 Q6PCB7 2/20 0.32
PPARG P37231 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL30174170 0.87 MYC (0.36) KDM4EALDH1A1GRM5MAPK14HRH3
SCHEMBL25227025 0.87 MYC (0.36) KDM4EALDH1A1GRM5MAPK14HRH3
SCHEMBL25529134 0.87 L3MBTL1 (0.38) KDM4EALDH1A1GRM5MAPK14HRH3
SCHEMBL29812412 0.84 L3MBTL1 (0.47) KDM4EHPGDALDH1A1GAAGRM5
SCHEMBL30063313 0.84 KDM4E (0.40) KDM4EALDH1A1GRM5MAPK14HRH3
SCHEMBL25533451 0.84 KDM4E (0.40) KDM4EALDH1A1GRM5MAPK14HRH3
SCHEMBL30174233 0.81 TYK2 (0.40) KDM4EHPGDALDH1A1TYK2MAPK14
SCHEMBL29812233 0.80 HCAR1 (0.41) KDM4EHPGDALDH1A1MAPK14L3MBTL1
SCHEMBL30174185 0.78 L3MBTL1 (0.41) KDM4EHPGDALDH1A1TYK2MAPK14
SCHEMBL25529136 0.77 MAPK14 (0.40) KDM4EALDH1A1MAPK14L3MBTL1

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-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed