SCHEMBL26243252

SCHEMBL26243252

C1=Cc2c(c3ccc4c5ccccc5n(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)c4c3n2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)n2)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
COMT P21964 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
SCHEMBL10060906 0.87 MEN1 (0.35) COMT
SCHEMBL18944711 0.84 KDM4E (0.33) COMT
SCHEMBL13466681 0.83 KDM4E (0.34)
SCHEMBL12036273 0.81 MEN1 (0.37) COMT
SCHEMBL20146120 0.80 MKNK1 (0.31)
SCHEMBL20612770 0.80 COMT (0.33) COMT
SCHEMBL10061151 0.80 MEN1 (0.37) COMT
SCHEMBL18944716 0.80 COMT (0.34) COMT
SCHEMBL12523196 0.79
SCHEMBL12036289 0.78 MEN1 (0.42)

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-4039774-B1 ORGANIC LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-09-20 EP disclosed