Sugi Predict

Sugi Predict / Compounds / SCHEMBL26042407

SCHEMBL26042407

SCHEMBL26042407

N/C(=N\C(=N/Cc1cccc2oc3ccc(-c4ccc5c(c4)oc4cc6ccccc6cc45)cc3c12)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.38
▸ GRIN1 Q05586 4/20 0.38
▸ HTR2B P41595 1/20 0.34
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CHEK2 O96017 1/20 0.31
▸ ANO1 Q5XXA6 1/20 0.31
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL26382253 0.92 GRIN2B (0.41) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL26283753 0.92 GRIN2B (0.45) GRIN2BGRIN1HTR2BCHEK2ANO1
SCHEMBL24315602 0.89 GRIN2B (0.41) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL25653733 0.88 GRIN2B (0.35) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL26068028 0.87 GRIN1 (0.40) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL24315035 0.87 GRIN2B (0.39) GRIN2BGRIN1HTR2BANO1
SCHEMBL25652403 0.86 GRIN1 (0.44) GRIN2BGRIN1HTR2BCHEK2IDO1
SCHEMBL24658273 0.86 GRIN2B (0.39) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL24314853 0.85 GRIN1 (0.43) GRIN2BGRIN1HTR2BMMP12MMP13
SCHEMBL25652392 0.85 CYP1A1 (0.32) GRIN2BGRIN1HTR2BCHEK2IDO1

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-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 — — EP disclosed