SCHEMBL28115474

SCHEMBL28115474

Cc1ccc(-c2cc(CCC(=O)Oc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
TP53 P04637 4/20 0.56
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 2/20 0.52
PDE10A Q9Y233 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL28115569 0.92 KDM4E (0.50) MAPTTP53KDM4EALDH1A1L3MBTL1
SCHEMBL28837021 0.91 MAPT (0.60) MAPTTP53KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL26649487 0.84 PDE10A (0.63) MAPTTP53KDM4EALDH1A1L3MBTL1
SCHEMBL28115476 0.82 POLB (0.57) MAPTTP53KDM4EALDH1A1L3MBTL1
SCHEMBL28115475 0.82 MAPT (0.45) MAPTTP53KDM4EALDH1A1L3MBTL1
SCHEMBL26649418 0.81 PDE10A (0.57) MAPTTP53KDM4EALDH1A1L3MBTL1
SCHEMBL28115074 0.81 DHODH (0.54) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL28115477 0.81 RXFP1 (0.52) MAPTTP53KDM4EALDH1A1L3MBTL1
SCHEMBL28115022 0.81 DHODH (0.53) MAPTTP53KDM4EALDH1A1L3MBTL1
SCHEMBL28115083 0.80 MAPT (0.48) MAPTTP53KDM4EALDH1A1L3MBTL1

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