SCHEMBL29876440

SCHEMBL29876440

CC(C)(C)c1ccc(-c2ccc(Oc3ccc4c5c(cccc35)C(=O)OC4=O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TYMS P04818 3/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ MASP2 O00187 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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 0.92 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
SCHEMBL29875769 0.83 KMT2A (0.39) ALDH1A1LMNANPSR1TYMSMEN1
SCHEMBL30678538 0.83 MASP2 (0.53) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
SCHEMBL14304001 0.80 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2MAPK1TYMS
SCHEMBL25373286 0.79 LMNA (0.48) ALDH1A1LMNASMN1; SMN2MAPK1TYMS
SCHEMBL16684654 0.79 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
SCHEMBL30933051 0.79 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
SCHEMBL24634087 0.77 KMT2A (0.43) ALDH1A1LMNANPSR1TYMSAPEX1
SCHEMBL29886848 0.77 KMT2A (0.43) ALDH1A1LMNANPSR1TYMSAPEX1
SCHEMBL30782436 0.70 NCEH1 (0.46) ALDH1A1LMNASMN1; 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-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
WO-2022178450-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2022-08-25 — — WO disclosed
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