SCHEMBL25876403

SCHEMBL25876403

CC1(C)c2ccccc2-c2cc(N(c3ccc4c(ccc5oc6ccccc6c54)c3)c3ccccc3-c3cccc4ccccc34)ccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
AHR P35869 1/20 0.30
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
SCHEMBL25875467 0.94 MAOA (0.33) TDP1L3MBTL1MAOAMAOBMEN1
SCHEMBL25876553 0.94 TDP1 (0.31) TDP1L3MBTL1
SCHEMBL25877782 0.92 MAOA (0.32) MAOAMAOBMEN1ALDH1A1MAPT
SCHEMBL25876849 0.91 TDP1 (0.33) TDP1L3MBTL1MAOAMAOB
SCHEMBL25877117 0.90 MAOA (0.30) MAOAMAOB
SCHEMBL25875680 0.90 MAOA (0.30) MAOAMAOB
SCHEMBL25876398 0.90 TDP1 (0.33) TDP1L3MBTL1AHR
SCHEMBL25876397 0.89 CYP1A1 (0.30) TDP1L3MBTL1AHR
SCHEMBL24656897 0.89 ERBB2 (0.31) MAOAAHR
SCHEMBL25876401 0.89 TDP1 (0.31) TDP1L3MBTL1

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