SCHEMBL24634152

SCHEMBL24634152

CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.67
ESR2 Q92731 1/20 0.67
MAPT P10636 4/20 0.64
MAOB P27338 3/20 0.64
MAOA P21397 1/20 0.64
CYP1B1 Q16678 5/20 0.64
CYP1A2 P05177 1/20 0.60
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
KMT2A Q03164 1/20 0.59
TLR9 Q9NR96 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58

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
SCHEMBL16051995 0.92 CYP1A2 (0.70) MAPTMAOBMAOACYP1B1CYP1A2
SCHEMBL16051996 0.92 CYP1A2 (0.70) MAPTMAOBMAOACYP1B1CYP1A2
SCHEMBL29039999 0.88 HDAC1 (0.69) MAPTMAOBCYP1B1CYP1A2MAPK1
SCHEMBL23082314 0.87 CYP1A2 (0.64) MAPTMAOBMAOACYP1B1CYP1A2
SCHEMBL23082321 0.87 CYP1A2 (0.64) MAPTMAOBMAOACYP1B1CYP1A2
SCHEMBL25200098 0.87 MAOB (0.63) ESR1ESR2MAPTMAOBMAOA
SCHEMBL25574505 0.87 MAOB (0.63) ESR1ESR2MAPTMAOBMAOA
SCHEMBL1659833 0.87 ESR1 (0.86) ESR1ESR2MAPTMAOBMAOA
SCHEMBL1659832 0.87 ESR1 (0.86) ESR1ESR2MAPTMAOBMAOA
SCHEMBL9338099 0.86 MAPT (0.77) MAPTMAOBMAOACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116998024-A Boron-containing cyclic light-emitting compound and color conversion film comprising same 日东电工株式会社 2023-11-03 CN disclosed
WO-2022178427-A9 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2023-07-27 WO disclosed
WO-2022178427-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2022-08-25 WO disclosed