SCHEMBL30678538

SCHEMBL30678538

O=C1OC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 1/20 0.53
▸ F2 P00734 1/20 0.53
▸ TYMS P04818 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MAPT P10636 5/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ ESRRA P11474 1/20 0.42

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
SCHEMBL25432363 0.89 ALDH1A1 (0.48) MASP2F2TYMSKDM4EALDH1A1
SCHEMBL29876278 0.85 MASP2 (0.45) MASP2F2TYMSKDM4EALDH1A1
SCHEMBL29876440 0.83 ALDH1A1 (0.45) MASP2F2TYMSKDM4EALDH1A1
SCHEMBL25373286 0.83 LMNA (0.48) TYMSALDH1A1MAPTTDP1GAA
SCHEMBL29875713 0.82 L3MBTL1 (0.48) TYMSALDH1A1MAPTL3MBTL1LMNA
SCHEMBL30933051 0.82 ALDH1A1 (0.59) F2TYMSALDH1A1HPGDMAPT
SCHEMBL16684654 0.82 ALDH1A1 (0.59) F2TYMSALDH1A1HPGDMAPT
SCHEMBL14304001 0.81 ALDH1A1 (0.48) TYMSKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL10980033 0.79 MAPT (0.61) MASP2F2KDM4EALDH1A1HPGD
SCHEMBL17726870 0.79 MAPT (0.43) TYMSALDH1A1MAPTL3MBTL1CYP2C9

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
CN-117063288-A Boron-containing cyclic light-emitting compound and color conversion film comprising same 日东电工株式会社 2023-11-14 — — CN disclosed
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