SCHEMBL25876398

SCHEMBL25876398

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5oc6ccccc6c54)c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCG2 Q9UNQ0 3/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
AHR P35869 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
SCHEMBL26037618 0.96 TDP1 (0.32) TDP1L3MBTL1ABCG2CHRNA1CHRNG
SCHEMBL25876627 0.94 TDP1 (0.33) TDP1L3MBTL1ABCG2CHRNA1CHRNG
SCHEMBL25875462 0.94 ENPP3 (0.32) TDP1L3MBTL1ABCG2CHRNA1CHRNG
SCHEMBL25876402 0.94 CHRNA1 (0.35) TDP1L3MBTL1ABCG2CHRNA1CHRNG
SCHEMBL25875575 0.93 CA12 (0.32) ABCG2ENPP3ENPP1
SCHEMBL25877968 0.92 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25877066 0.91 CA12 (0.33) ABCG2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25516374 0.91 ABCG2 (0.31) TDP1L3MBTL1ABCG2AHR
SCHEMBL25877875 0.91 TNKS (0.32)
SCHEMBL25876695 0.91 TDP1 (0.32) TDP1L3MBTL1ABCG2CHRNA1CHRNG

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