SCHEMBL22329509

SCHEMBL22329509

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)n3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP1A2 P05177 4/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ABCG2 Q9UNQ0 4/20 0.47
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ CYP2B6 P20813 2/20 0.45
▸ AHR P35869 2/20 0.45

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
SCHEMBL22330080 0.96 MAPK1 (0.50) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL22329687 0.95 MAPK1 (0.50) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL22329838 0.94 MAPK1 (0.51) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL20220270 0.94 MAPK1 (0.55) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL22330014 0.93 MAPK1 (0.57) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL22330011 0.91 MAPK1 (0.58) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL22330042 0.91 MAPK1 (0.53) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL22330224 0.91 MAPK1 (0.53) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL22329749 0.90 MEN1 (0.57) MAPK1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL22329748 0.90 MEN1 (0.57) MAPK1TDP1CYP1A2CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581494-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-02-14 — — US disclosed
US-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 — — US disclosed
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