SCHEMBL25877188

SCHEMBL25877188

CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)oc3ccc5ccccc5c34)c3cccc4c3-c3ccccc3C4(C)C)cccc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL25877557 0.95 AHR (0.31) AHRMEN1TP53CYP3A4CYP2D6
SCHEMBL25876852 0.92 TDP1 (0.30) AHRMEN1MAPTKMT2ATDP1
SCHEMBL25876157 0.92 TDP1 (0.30) AHRMEN1MAPTKMT2ATDP1
SCHEMBL26556865 0.92 ABCG2 (0.32) AHR
SCHEMBL25875688 0.91 ALK (0.31)
SCHEMBL25876849 0.90 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL24658198 0.90 TDP1 (0.33) AHRMEN1MAPTKMT2ATDP1
SCHEMBL24656944 0.90 TDP1 (0.33) AHRMEN1MAPTKMT2ATDP1
SCHEMBL25877559 0.89 ABCG2 (0.33) AHR
SCHEMBL25877661 0.89 MAOA (0.30)

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed