SCHEMBL21740675

SCHEMBL21740675

C=N/C(=N\C(=N/Cc1ccccc1)c1ccccc1)c1cccc(-c2ccc(CC)c(C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ GRIN2B Q13224 2/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ GRIN1 Q05586 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ DHFR P00374 2/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ GPR52 Q9Y2T5 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
SCHEMBL23676819 0.89 GRIN2B (0.37) MRGPRX4BCL2GRIN2BPPARGPPARA
SCHEMBL20617241 0.79 GRIN2B (0.44) BCL2GRIN2BGRIN1GPR52
SCHEMBL24704465 0.76 HTR7 (0.36) GRIN2BGRIN1
SCHEMBL21320379 0.76 HTR7 (0.37) GRIN2BGRIN1
SCHEMBL22115000 0.75 PDK2 (0.36) GRIN2BGRIN1
SCHEMBL21740674 0.74 GRIN2B (0.33) GRIN2B
SCHEMBL21740425 0.73 GRIN2B (0.41) GRIN2BGRIN1GPR52
SCHEMBL25945322 0.73 MMP12 (0.42) GRIN2BGRIN1
SCHEMBL27457731 0.73 GRIN2B (0.31) GRIN2BGRIN1
SCHEMBL20832372 0.73 GRIN2B (0.42) BCL2GRIN2BGRIN1

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
EP-3611173-A1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT Heesung Material Ltd. (KR) 2020-02-19 — — EP disclosed
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