SCHEMBL28115476

SCHEMBL28115476

Cc1cccc2c(CCC(=O)Oc3ccccc3)cc(-c3ccccc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 6/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PLAUR Q03405 1/20 0.45
CCR6 P51684 1/20 0.43
ACACA Q13085 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER4 P35408 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL28115023 0.87 MAPT (0.46) POLBMAPTKDM4ELMNACCR6
SCHEMBL28115569 0.85 KDM4E (0.50) MAPTTP53KDM4ELMNAACACA
SCHEMBL28115474 0.82 MAPT (0.60) POLBMAPTTP53KDM4ELMNA
SCHEMBL28837021 0.82 MAPT (0.60) POLBMAPTTP53KDM4ELMNA
SCHEMBL28115475 0.78 MAPT (0.45) POLBMAPTTP53KDM4ELMNA
SCHEMBL28115074 0.76 DHODH (0.54) POLBMAPTKDM4EHTTALDH1A1
SCHEMBL28115022 0.76 DHODH (0.53) MAPTTP53KDM4EACACAALDH1A1
SCHEMBL28115477 0.76 RXFP1 (0.52) POLBMAPTTP53KDM4ELMNA
SCHEMBL28115083 0.76 MAPT (0.48) MAPTTP53KDM4ELMNAALDH1A1
SCHEMBL28118267 0.75 KDM4E (0.43) POLBMAPTTP53KDM4ELMNA

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-106220560-A A kind of preparation method of poly-substituted quinoline derivant 华侨大学 2016-12-14 CN disclosed