SCHEMBL27287148

SCHEMBL27287148

c1ccc(-c2c(-c3c4ccccc4c(-c4cccc5c4oc4ccc6ccccc6c45)c4ccccc34)oc3c2ccc2oc4ccccc4c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ABCG2 Q9UNQ0 7/20 0.37
▸ ADORA2A P29274 1/20 0.35
▸ AHR P35869 3/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ ABCC1 P33527 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL27286752 0.92 ALOX5 (0.38) TDP1L3MBTL1ABCG2ADORA2AAHR
SCHEMBL27287155 0.88 ABCG2 (0.36) TDP1ABCG2ADORA2AAHRCYP1A1
SCHEMBL27288588 0.85 ABCG2 (0.33) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL17943882 0.83 ABCG2 (0.44) TDP1L3MBTL1ABCG2AHRCYP1A1
SCHEMBL27288237 0.83 PRKDC (0.33) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL17944736 0.82 TDP1 (0.44) TDP1L3MBTL1ABCG2AHRCYP1A1
SCHEMBL22218969 0.82 ABCG2 (0.43) TDP1L3MBTL1ABCG2AHRCYP1A1
SCHEMBL27291985 0.82 CA1 (0.42) ABCG2ADORA2AAHRCYP1A1CYP1A2
SCHEMBL17931907 0.81 ABCG2 (0.43) TDP1L3MBTL1ABCG2AHRCYP1A1
SCHEMBL19764814 0.81 TDP1 (0.37) TDP1L3MBTL1ABCG2ADORA2AAHR

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-2024010167-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2024-01-11 — — WO disclosed
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