SCHEMBL25877334

SCHEMBL25877334

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
HCRTR1 O43613 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
KMT2A Q03164 1/20 0.30
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
SCHEMBL25875883 0.95 CASP3 (0.31) CASP3SENP7SENP6HCRTR1HSP90AA1
SCHEMBL9916436 0.95 ABCG2 (0.33) ABCG2TDP1CASP3SENP7SENP6
SCHEMBL25877342 0.95 ABCG2 (0.33) ABCG2TDP1CASP3SENP7SENP6
SCHEMBL25876766 0.93 HCRTR1 (0.33) CASP3SENP7SENP6HCRTR1
SCHEMBL9916567 0.93 ABCG2 (0.35) ABCG2TDP1KMT2AAHR
SCHEMBL25877262 0.93 ABCG2 (0.33) ABCG2TDP1KMT2AAHR
SCHEMBL24655251 0.93 HCRTR1 (0.32) ABCG2TDP1L3MBTL1HCRTR1
SCHEMBL26060032 0.92 HCRTR1 (0.31) HCRTR1
SCHEMBL9916572 0.92 ABCG2 (0.34) ABCG2TDP1KMT2AAHR
SCHEMBL9916408 0.92 ABCG2 (0.34) ABCG2TDP1KMT2AAHR

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