SCHEMBL31575813

SCHEMBL31575813

N#Cc1cccc(C(=O)Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.61
P4HB P07237 4/20 0.49
FBP1 P09467 1/20 0.49
GRM5 P41594 3/20 0.48
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ENPP2 Q13822 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
VNN1 O95497 2/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
KAT6A Q92794 1/20 0.43

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
SCHEMBL40532 1.00 GSK3B (0.61) GSK3BP4HBFBP1GRM5ALDH1A1
Fluorobenzene SCHEMBL28928512 0.88 GSK3B (0.50) GSK3BP4HBFBP1VNN1KAT6A
SCHEMBL2104597 0.84 BRAF (0.56) GRM5ALDH1A1MEN1MAPTKMT2A
SCHEMBL2164429 0.82 GSK3B (0.62) GSK3BP4HBGRM5ALDH1A1CLK1
SCHEMBL103415 0.82 ALDH1A1 (0.47) GSK3BP4HBFBP1GRM5ALDH1A1
SCHEMBL60691 0.82 GSK3B (0.62) GSK3BGRM5
SCHEMBL29441888 0.82 GSK3B (0.62) GSK3BGRM5
Benzoyl Chloride SCHEMBL8174168 0.81 VNN1 (0.46) GSK3BGRM5KMT2AVNN1IRAK4
SCHEMBL23079142 0.80 GSK3B (0.61) GSK3BP4HBGRM5ALDH1A1CLK1
SCHEMBL14508038 0.80 GSK3B (0.51) GSK3BP4HBFBP1GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN disclosed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN disclosed