SCHEMBL26048558

SCHEMBL26048558

N/C(=C\C(=N/Cc1ccccc1)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)oc3ccccc34)c2)cc1)c1ccc2c(c1)oc1ccc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.37
GRIN1 Q05586 2/20 0.35
HTR2B P41595 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
IDO1 P14902 2/20 0.35
SIGMAR1 Q99720 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.32
TTR P02766 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1A1 P04798 1/20 0.31

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
SCHEMBL19293133 0.76 GRIN2B (0.42) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL25652635 0.74 HTR2B (0.39) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL25651741 0.72 GRIN2B (0.41) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL16543094 0.72 ABCG2 (0.53) TDP1KDM4EMAPTL3MBTL1HPGD
SCHEMBL25651258 0.71 GRIN2B (0.40) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL26047932 0.71 TDP1 (0.39) MMP12MMP13TDP1KDM4EMAPT
SCHEMBL25651764 0.71 GRIN2B (0.44) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL25557616 0.69 ABCG2 (0.45) TDP1KDM4EMAPTL3MBTL1HPGD
SCHEMBL26455781 0.69 ABCG2 (0.40) MMP12MMP13TDP1KDM4EL3MBTL1
SCHEMBL15501325 0.69 ABCG2 (0.47) TDP1KDM4EMAPTL3MBTL1HPGD

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-2023163479-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2023-08-31 WO disclosed