SCHEMBL29682000

SCHEMBL29682000

Nc1ccc(Cl)cc1Oc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
KDM4E B2RXH2 1/20 0.69
CYP2D6 P10635 1/20 0.69
HPGD P15428 1/20 0.69
CYP3A4 P08684 3/20 0.56
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
HTR2A P28223 2/20 0.50
SLC6A4 P31645 2/20 0.50
KCNH2 Q12809 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.48

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
SCHEMBL11522510 0.92 MAOA (0.61) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2551468 0.89 MAPT (0.56) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1298828 0.89 ALDH1A1 (0.56) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2398857 0.88 CYP3A4 (0.73) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL643527 0.85 MAPT (0.56) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1242454 0.84 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7140487 0.83 MAPT (0.96) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL32674568 0.83 MAPT (0.96) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL11515445 0.82 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL641390 0.79 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789574-B Preparation method and application of camphorsulfonamide compound containing diphenyl ether group 南京林业大学 2024-07-30 CN claimed
CN-116789574-B Preparation method and application of camphorsulfonamide compound containing diphenyl ether group 南京林业大学 2024-07-30 CN disclosed
CN-114560826-B Thiazole amide compound containing diphenyl ether group and preparation method and application thereof 安徽理工大学 2024-06-25 CN disclosed
CN-116789574-A Preparation method and application of camphorsulfonamide compound containing diphenyl ether group 南京林业大学 2023-09-22 CN disclosed
CN-114560826-A Diphenyl ether group-containing thiazole amide compound and preparation method and application thereof 安徽理工大学 2022-05-31 CN disclosed