SCHEMBL28554649

SCHEMBL28554649

ClCc1cccc2c3c(ccc12)NCC3

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PNMT P11086 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.31
CHRNE Q04844 1/20 0.31

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
SCHEMBL28626057 0.81 BCHE (0.38) NOTUMBCHEACHEKDM4EMEN1
SCHEMBL18403202 0.76 PNMT (0.53) NOTUMACHEPNMTKDM4EMEN1
SCHEMBL5754293 0.73 PNMT (0.55) NOTUMPNMTHTT
SCHEMBL29383544 0.73 ALDH1A1 (0.39) PNMTCYP1A2CYP2C19HTTKMT2A
SCHEMBL2468219 0.73 ALDH1A1 (0.39) PNMTCYP1A2CYP2C19HTTKMT2A
SCHEMBL29269316 0.72 HPRT1 (0.50) NOTUMBCHEACHEKDM4EMEN1
SCHEMBL29974199 0.72 NOTUM (0.40) NOTUMBCHEACHEPARP10PARP11
SCHEMBL3884626 0.72 NOTUM (0.40) NOTUMBCHEACHEPARP10PARP11
SCHEMBL582334 0.69 NOTUM (0.46) NOTUMBCHEACHEKDM4EMEN1
Hydrochloric Acid SCHEMBL8013061 0.68 NOTUM (0.44) NOTUMBCHEACHEKDM4EMEN1

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-114106185-A anti-HER 2 antibodies and immunoconjugates 基因泰克公司 2022-03-01 CN disclosed
CN-107001479-B anti-HER 2 antibodies and immunoconjugates 基因泰克公司 2021-09-28 CN disclosed
CN-107001465-B anti-CLL-1 antibodies and immunoconjugates 基因泰克公司 2020-12-11 CN disclosed