SCHEMBL22425224

SCHEMBL22425224

c1ccc(-c2nc3ccccc3nc2-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccc4ccccc4c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 1/20 0.38
PTGER4 P35408 1/20 0.35
NPY5R Q15761 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PTGES O14684 1/20 0.33
HPGD P15428 1/20 0.33
IL1R1 P14778 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 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
SCHEMBL22425211 0.98 KDM4E (0.37) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL22425673 0.96 KDM4E (0.35) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL22425574 0.95 KDM4E (0.36) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL22425524 0.94 ATM (0.37) KDM4EL3MBTL1ATMPTGER4PTGES
SCHEMBL21168861 0.94 DHODH (0.35) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL22425572 0.93 KDM4E (0.35) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL21168811 0.93 KDM4E (0.39) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL24037047 0.92 CASP1 (0.38) KDM4EL3MBTL1NPY5RHSD17B10CASP1
SCHEMBL22425531 0.92 ATM (0.35) KDM4EL3MBTL1ATMPTGER4GAA
SCHEMBL22425385 0.91 HSD17B10 (0.36) KDM4EL3MBTL1ATMNPY5RHSD17B10

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-2020185059-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2020-09-17 WO disclosed