SCHEMBL21763699

SCHEMBL21763699

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
KMT2A Q03164 2/20 0.41
IL1R1 P14778 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MAPK14 Q16539 1/20 0.36
MAPK8 P45983 2/20 0.33
HDAC4 P56524 1/20 0.33
MAPK9 P45984 1/20 0.32
HTR6 P50406 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PGR P06401 1/20 0.32
MAPK1 P28482 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
SCHEMBL24292878 0.95 L3MBTL1 (0.50) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL22705748 0.93 L3MBTL1 (0.45) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL21763702 0.92 L3MBTL1 (0.46) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL21763701 0.89 L3MBTL1 (0.44) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL21763700 0.89 L3MBTL1 (0.44) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL19678604 0.88 L3MBTL1 (0.52) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL16491725 0.88 L3MBTL1 (0.59) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL18561901 0.87 L3MBTL1 (0.63) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL22706684 0.87 L3MBTL1 (0.45) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL22707224 0.86 L3MBTL1 (0.44) L3MBTL1KDM4EATMKMT2AIL1R1

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-2020040514-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-02-27 WO disclosed