SCHEMBL28624944

SCHEMBL28624944

Oc1ccc2ccccc2c1C#Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.48
ERN1 O75460 1/20 0.46
POLB P06746 1/20 0.46
APP P05067 1/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP1A2 P05177 2/20 0.44
USP2 O75604 1/20 0.44
PAK1 Q13153 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.42
HNF4A P41235 1/20 0.42
MAPT P10636 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 1/20 0.40

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
SCHEMBL29551114 0.86 PTPN22 (0.43) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL28797626 0.86 L3MBTL1 (0.48) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL29551872 0.82 USP2 (0.40) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL28797613 0.82 APP (0.51) APPHSD17B10CYP1A2ALDH1A1KDM4E
SCHEMBL28797628 0.80 PTPN22 (0.47) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL6370266 0.79 APP (0.46) APPHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL28497134 0.79 PTPN22 (0.50) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL20018387 0.78 APP (0.44) APPHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL15745349 0.78 APP (0.44) POLBAPPHSD17B10CYP1A2ALDH1A1
Benzene SCHEMBL21836124 0.77 PTPN22 (0.52) PTPN22ERN1POLBHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390621-A Synthesis method of chiral sulfonyl substituted vinyl naphthalene axis chiral compound 台州学院 2025-02-07 CN disclosed
CN-114671816-B Preparation method of axial chiral aryl triazole compound 浙江大学 2023-11-17 CN disclosed
CN-114957140-A Axial chiral 1,2, 3-triazole compound and preparation method and application thereof 温州大学 2022-08-30 CN disclosed
CN-114671816-A Preparation method of axial chiral aryl triazole compound 浙江大学 2022-06-28 CN disclosed
CN-113429323-B Preparation method of sulfonyl substituted styrene type axial chiral compound 台州学院 2022-04-29 CN disclosed
CN-113429323-A Preparation method of sulfonyl substituted styrene type axial chiral compound 台州学院 2021-09-24 CN disclosed