SCHEMBL25875801

SCHEMBL25875801

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4ccc5oc6ccccc6c5c4c3)cc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 2/20 0.32
AHR P35869 2/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL25875797 0.98 KDM4E (0.33) ALKTDP1L3MBTL1PDK2AHR
SCHEMBL25875687 0.97 ALK (0.31) ALKTDP1L3MBTL1PDK2MEN1
SCHEMBL25875691 0.97 PDK2 (0.33) ALKTDP1L3MBTL1PDK2
SCHEMBL25875796 0.96 TDP1 (0.32) ALKTDP1L3MBTL1AHRMEN1
SCHEMBL25875690 0.94 ABCG2 (0.31) AHR
SCHEMBL25877259 0.93 AHR (0.35) TDP1L3MBTL1PDK2AHRMEN1
SCHEMBL25875566 0.93 TDP1 (0.32) ALKTDP1L3MBTL1AHRMEN1
SCHEMBL25876008 0.92 CASP3 (0.33) ALK
SCHEMBL25877252 0.92 AHR (0.33) ALKTDP1L3MBTL1AHRMEN1
SCHEMBL25875692 0.92 PDK2 (0.30) PDK2AHR

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