SCHEMBL22989153

SCHEMBL22989153

c1ccc2c(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-n4c5ccc6cccc7oc8cccc9ccc4c(c98)c5c67)c4ccccc34)nc2c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 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
SCHEMBL22989150 0.93 ALDH1A1 (0.35)
SCHEMBL22989125 0.93
SCHEMBL22989149 0.90 MEN1 (0.38) CYP1A2
SCHEMBL22989148 0.89
SCHEMBL22989157 0.88 MEN1 (0.39)
SCHEMBL22989155 0.86 MEN1 (0.32)
SCHEMBL22988985 0.86 ALDH1A1 (0.34) CYP1A2
SCHEMBL22989151 0.86 MEN1 (0.33) CYP1A2
SCHEMBL22989034 0.84 ALDH1A1 (0.34) CYP1A2
SCHEMBL18876913 0.84 ALOX5 (0.34)

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed