SCHEMBL22916478

SCHEMBL22916478

CC1C=Cc2[nH]c3cc4ccccc4cc3c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK1 O14757 1/20 0.33
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 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
SCHEMBL15089401 0.81 MEN1 (0.49) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL17468676 0.78 CYP1A2 (0.48) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL13746798 0.78 KDM4E (0.47) MEN1KMT2AKDM4EMAPTGRIN2D
SCHEMBL12900556 0.77 TYMS (0.35) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL26262079 0.77 CHEK1 (0.32) CHEK1HTR2AHTR2C
SCHEMBL23783716 0.77 CHEK1 (0.33) MEN1KMT2AKDM4EMAPTGRIN2D
SCHEMBL24203201 0.74 KDM4E (0.35) MEN1KMT2AKDM4EMAPTGRIN2D
SCHEMBL30862162 0.67 CLK1 (0.35) MEN1KMT2AKDM4EMAPTGRIN2D
SCHEMBL17372835 0.67 CLK1 (0.35) MEN1KMT2AKDM4EMAPTGRIN2D
SCHEMBL29385786 0.65 AHR (0.56) MEN1KMT2AKDM4EMAPTGRIN2D

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
EP-3553049-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2022-01-19 EP disclosed
WO-2021015603-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-01-28 WO disclosed