SCHEMBL24905475

SCHEMBL24905475

N#Cc1ccc(-c2cccc3c2-c2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc2C32c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 14/20 0.39
ABCB1 P08183 8/20 0.39
HTT P42858 1/20 0.36
ABCC1 P33527 3/20 0.36
OPRD1 P41143 1/20 0.34
PDK2 Q15119 1/20 0.34
MYC P01106 1/20 0.33

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
SCHEMBL21701684 0.98 ABCG2 (0.38) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL21701688 0.97 ABCG2 (0.37) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL24905526 0.97 ABCG2 (0.37) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL21701685 0.96 ABCG2 (0.39) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL24648138 0.94 ABCG2 (0.37) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL24647583 0.93 ABCG2 (0.44) ABCG2ABCB1ABCC1PDK2MYC
SCHEMBL22908115 0.92 ABCG2 (0.37) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL23257147 0.92 ABCG2 (0.38) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL22908161 0.91 ABCG2 (0.38) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL23256864 0.91 ABCG2 (0.37) ABCG2ABCB1HTTABCC1PDK2

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
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed