SCHEMBL28292288

SCHEMBL28292288

CCCCc1nc(-c2ccc(Cl)cc2)sc1CCCC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGER Q15109 13/20 0.53
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CTRC Q99895 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL16399784 0.81 HTT (0.50) HTTALOX5
SCHEMBL28290873 0.78 HRH3 (0.49) HTTHRH3ALOX5
SCHEMBL19936638 0.75 AGER (0.43) AGERCTRC
SCHEMBL3545047 0.75 AGER (0.36) AGERALOX5
SCHEMBL1553173 0.75 MAPT (0.45)
SCHEMBL3540426 0.74 MAPT (0.43)
SCHEMBL16398630 0.74 ALOX5 (0.49) HRH3ALOX5
SCHEMBL27891152 0.72 HTT (0.51) AGERHTTCTRCALOX5
SCHEMBL1553524 0.72 MAPT (0.46)
SCHEMBL18003234 0.71 ALOX5 (0.44) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107383068-B Thiazole and triazole -6- acetamide derivative and application 石家庄学院 2019-05-10 CN disclosed