SCHEMBL25876994

SCHEMBL25876994

CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccc5ccccc5c34)ccc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.33
KMT2A Q03164 2/20 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
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32
PAX8 Q06710 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL15851859 0.94 AHR (0.33) AHRKMT2AMEN1TP53CYP3A4
SCHEMBL26489614 0.92 L3MBTL1 (0.34) AHRKMT2AMEN1TP53CYP3A4
SCHEMBL25876395 0.92 TDP1 (0.32) L3MBTL1TDP1
SCHEMBL25875459 0.90 ALK (0.31) KMT2AMEN1MAPTL3MBTL1TDP1
SCHEMBL26489800 0.90 AHR (0.34) AHRKMT2AMEN1TP53CYP3A4
SCHEMBL26851320 0.90 TDP1 (0.31) L3MBTL1TDP1
SCHEMBL25876404 0.89 MEN1 (0.34) AHRKMT2AMEN1MAPTL3MBTL1
SCHEMBL25875469 0.89 MEN1 (0.34) AHRKMT2AMEN1MAPTL3MBTL1
SCHEMBL25877452 0.89 ABCG2 (0.31) AHRKMT2AABCG2
SCHEMBL25877060 0.89 AHR (0.35) AHRKMT2AMEN1TP53CYP3A4

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