SCHEMBL22989183

SCHEMBL22989183

c1ccc(-c2cccc(-c3nc(-c4cccc5c(-n6c7ccc8cccc9sc%10cccc%11ccc6c(c%11%10)c7c89)cccc45)nc4ccccc34)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ADORA2A P29274 2/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL22989129 0.96 MEN1 (0.33) MEN1KMT2AATMADORA2APDE10A
SCHEMBL22989189 0.94 KMT2A (0.38) MEN1KMT2AATMADORA2A
SCHEMBL22989122 0.90 MEN1 (0.38) MEN1KMT2AATMADORA2A
SCHEMBL22989123 0.89 MEN1 (0.33) MEN1KMT2AATMADORA2A
SCHEMBL18877073 0.88 ATM (0.36) MEN1KMT2AATMADORA2APDE10A
SCHEMBL22989034 0.87 ALDH1A1 (0.34) MEN1KMT2AATMADORA2APDE10A
SCHEMBL18876864 0.87 MEN1 (0.38) MEN1KMT2AATMADORA2APDE10A
SCHEMBL22989124 0.87 MEN1 (0.32) MEN1KMT2AATM
SCHEMBL22989128 0.85 ALDH1A1 (0.31)
SCHEMBL18876862 0.85 MEN1 (0.41) MEN1KMT2AATMADORA2APDE10A

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