SCHEMBL25373286

SCHEMBL25373286

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42
▸ GABRG1 Q8N1C3 1/20 0.42
▸ GABRG3 Q99928 1/20 0.42
▸ GABRQ Q9UN88 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
SCHEMBL30933051 0.85 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2MAPK1TYMS
SCHEMBL16684654 0.85 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2MAPK1TYMS
SCHEMBL14304001 0.84 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2MAPK1TYMS
SCHEMBL30678538 0.83 MASP2 (0.53) LMNAALDH1A1SMN1; SMN2MAPK1TYMS
SCHEMBL25432363 0.83 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2MAPK1TYMS
SCHEMBL24633993 0.80 TYMS (0.43) LMNAALDH1A1TYMSMAPTTDP1
SCHEMBL29876440 0.79 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2MAPK1TYMS
SCHEMBL30782436 0.76 NCEH1 (0.46) LMNAALDH1A1SMN1; SMN2MAPK1TYMS
SCHEMBL1892650 0.74 MEN1 (0.65) LMNAALDH1A1SMN1; SMN2MAPK1TYMS
SCHEMBL30582767 0.74 MEN1 (0.65) LMNAALDH1A1SMN1; SMN2MAPK1TYMS

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
CN-118355091-A Boron-containing cyclic light-emitting compound and color conversion film containing same 日东电工株式会社 2024-07-16 — — CN disclosed
WO-2023158977-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2023-08-24 — — WO disclosed
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