SCHEMBL25875566

SCHEMBL25875566

CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4ccc5oc6ccccc6c5c4c3)ccc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AHR P35869 2/20 0.31
ALK Q9UM73 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL25875470 0.98 KDM4E (0.36) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL25875687 0.97 ALK (0.31) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL25875459 0.97 ALK (0.31) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL25875469 0.96 MEN1 (0.34) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL26851335 0.95 ALK (0.30) ALK
SCHEMBL25516370 0.94 ABCG2 (0.31) AHR
SCHEMBL25875801 0.93 ALK (0.32) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL25877060 0.93 AHR (0.35) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL25875567 0.92 CASP3 (0.33) ALK
SCHEMBL25877006 0.92 KDM4E (0.35) TDP1L3MBTL1MEN1MAPTKMT2A

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