SCHEMBL25877452

SCHEMBL25877452

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.31
KMT2A Q03164 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
SCHEMBL25877261 0.95 ABCG2 (0.34) ABCG2KMT2AAHR
SCHEMBL25877194 0.92 ABCG2 (0.32) ABCG2KMT2AAHR
SCHEMBL25876009 0.91 CASP3 (0.31)
SCHEMBL10110554 0.91 ABCG2 (0.36) ABCG2KMT2AAHR
SCHEMBL10110574 0.91 ABCG2 (0.36) ABCG2KMT2AAHR
SCHEMBL10110555 0.91 ABCG2 (0.36) ABCG2KMT2AAHR
SCHEMBL25877114 0.91 CHRNA1 (0.32) ABCG2
SCHEMBL9916436 0.90 ABCG2 (0.33) ABCG2KMT2AAHR
SCHEMBL25877342 0.90 ABCG2 (0.33) ABCG2KMT2AAHR
SCHEMBL25877120 0.90 APP (0.32)

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