SCHEMBL28544945

SCHEMBL28544945

C=COc1ccccc1C#Cc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR1 O14842 6/20 0.36
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL28541058 0.86 MAPT (0.50) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL28799385 0.85 MAPT (0.38) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28799409 0.84 CYP1A2 (0.42) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28551878 0.84 CA12 (0.45) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28799426 0.84 PTGDR2 (0.38) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28799402 0.84 FFAR1 (0.39) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL30209793 0.81 PTGDR2 (0.38) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28545613 0.81 APP (0.49) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL30209791 0.80 RARB (0.40) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28356528 0.78 FFAR1 (0.55) MEN1KMT2AKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736181-B Synthesis method of visible light mediated acylated benzofuran derivative 河南大学 2024-03-08 CN disclosed
CN-114805268-B Synthesis method of visible light mediated cyclopenta [ b ] benzofuran derivative 河南大学 2024-03-08 CN disclosed
CN-110272403-B Method for synthesizing carbamate containing dihydrobenzofuran ring and trifluoromethyl 华南理工大学 2023-03-24 CN disclosed
CN-115626904-A 3-enamide substituted benzodihydrofuran compound and preparation method thereof 华南理工大学 2023-01-20 CN disclosed
CN-112442002-B Method for synthesizing 11-sulfenyl naphtho [2,3-b ] benzofuran compound 桂林医学院 2022-09-20 CN disclosed
CN-114805268-A Synthesis method of visible light mediated cyclopenta [ b ] benzofuran derivative 河南大学 2022-07-29 CN disclosed
CN-114736181-A Synthesis method of visible light mediated acylated benzofuran derivative 河南大学 2022-07-12 CN disclosed
CN-112442002-A Method for synthesizing 11-sulfenyl naphtho [2,3-b ] benzofuran compound 桂林医学院 2021-03-05 CN disclosed