SCHEMBL22989062

SCHEMBL22989062

c1ccc2nc(-c3ccc4oc5ccccc5c4c3)c(-c3ccc4cc(-n5c6ccc7cccc8sc9cccc%10ccc5c(c%109)c6c78)ccc4c3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
OPRK1 P41145 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
CHEK2 O96017 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ESR1 P03372 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22989220 0.92 MAPT (0.34) HPGDALDH1A1SIRT2SIRT1MAPT
SCHEMBL22989224 0.90 HPGD (0.31) HPGD
SCHEMBL22989058 0.88 HPGD (0.33) HPGD
SCHEMBL22989065 0.87 MAPK10 (0.38) HPGDALDH1A1MAPTKDM4EPOLB
SCHEMBL22988927 0.87 NPC1 (0.33) HPGDALDH1A1GAAMAPTNPC1
SCHEMBL22989190 0.86 MEN1 (0.32) HPGDALDH1A1MEN1POLBKMT2A
SCHEMBL22988923 0.85
SCHEMBL22989059 0.85 LMNA (0.39) HPGDALDH1A1GAAMAPTKDM4E
SCHEMBL22989066 0.85 FLT3 (0.33) HPGDALDH1A1MAPTKDM4E
SCHEMBL22989063 0.84 LMNA (0.39) HPGDALDH1A1GAAMAPTKDM4E

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
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed