SCHEMBL25875466

SCHEMBL25875466

CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4ccc5oc6ccccc6c5c4c3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL25875677 0.94 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25876402 0.94 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25875460 0.93 CDK4 (0.31) CYP1A1CYP1A2CYP1B1
SCHEMBL25875462 0.93 ENPP3 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25877968 0.93 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26853015 0.91 CDK4 (0.30)
SCHEMBL25875566 0.91 TDP1 (0.32) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL26851335 0.90 ALK (0.30)
SCHEMBL25875459 0.90 ALK (0.31) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL25516370 0.89 ABCG2 (0.31) CYP1A1CYP1A2

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