SCHEMBL8896837

SCHEMBL8896837

Cc1ncc(COCc2ccccc2)c(CN)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
AOC3 Q16853 1/20 0.42
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL14646865 0.81 LMNA (0.64) LMNAAOC3KDM4EALDH1A1HPGD
SCHEMBL25609280 0.81 AOC3 (0.57) LMNAAOC3CYP2C19L3MBTL1MAPT
SCHEMBL16675429 0.78 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16675424 0.78 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4052938 0.77 ESR1 (0.59) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL16560502 0.77 LMNA (0.66) LMNAAOC3KDM4EALDH1A1HPGD
SCHEMBL17119506 0.76 AOC3 (0.48) LMNAAOC3KDM4EALDH1A1L3MBTL1
SCHEMBL17120817 0.76 AOC3 (0.45) LMNAAOC3KDM4EALDH1A1L3MBTL1
SCHEMBL17120815 0.76 LMNA (0.56) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14646864 0.76 LMNA (0.56) LMNAKDM4EALDH1A1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9221473-A None JP disclosed
JP-H09221473-A 3-HYDROXY-4-AMINOMETHYLPYRIDINE DERIVATIVE AND MAILLARD REACTION INHIBITOR CONTAINING THE SAME KISSEI PHARMACEUT CO LTD 1997-08-26 JP disclosed