SCHEMBL23655210

SCHEMBL23655210

N/C(=N\C(=N/Cc1ccccc1-c1ccc(CN(c2ccccc2)c2ccccc2N)cc1)c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 1/20 0.34
▸ LTB4R2 Q9NPC1 4/20 0.33
▸ GRIN2B Q13224 2/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ AKT1 P31749 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL20407121 0.80 GRIN2B (0.32) GRIN2BGRIN1AKT1
SCHEMBL20405131 0.74 LTB4R2 (0.32) LTB4R2
SCHEMBL20407188 0.72 GRIN2B (0.37) TPH1LTB4R2GRIN2BGRIN1AKT1
SCHEMBL24914262 0.72 ESR2 (0.43) TPH1GRIN2BGRIN1
SCHEMBL23654321 0.71 PTGES (0.33) GRIN2BGRIN1
SCHEMBL20405249 0.69 ADORA2A (0.38) LTB4R2HDAC1HDAC8HDAC6
SCHEMBL20405269 0.69 ALOX5 (0.37) TPH1GRIN2BGRIN1
SCHEMBL20404851 0.69 GRIN2B (0.36) GRIN2BGRIN1HDAC1
SCHEMBL25639255 0.68 GRIN2B (0.39) TPH1GRIN2BGRIN1AKT1
SCHEMBL22893129 0.68 GRIN2B (0.49) GRIN2BGRIN1AKT1

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-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
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