SCHEMBL25869554

SCHEMBL25869554

c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2ccc2oc4ccccc4c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL25869559 0.95 TDP1 (0.35) TDP1L3MBTL1ENPP3ENPP1CA12
SCHEMBL25516249 0.93 PLA2G2A (0.33) —
SCHEMBL25516241 0.93 PLA2G2A (0.33) —
SCHEMBL26040219 0.92 ABCG2 (0.34) TDP1L3MBTL1ENPP3ENPP1CA12
SCHEMBL26556925 0.92 TDP1 (0.33) TDP1L3MBTL1ENPP3ENPP1CA12
SCHEMBL26061563 0.91 TDP1 (0.34) TDP1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL27297075 0.91 CA12 (0.35) TDP1L3MBTL1ENPP3ENPP1CA12
SCHEMBL26039595 0.91 ABCG2 (0.33) TDP1L3MBTL1ENPP3ENPP1CA12
SCHEMBL25869766 0.90 ALDH1A1 (0.33) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL24539822 0.90 TDP1 (0.33) TDP1L3MBTL1CYP1A2ABCG2CYP1A1

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
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