SCHEMBL31326522

SCHEMBL31326522

CN(C)Cc1ncc(-c2ccc(Oc3cc(Cl)ccc3C=O)nc2)n1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.37
ERN1 O75460 2/20 0.34
SLC6A2 P23975 7/20 0.33
SLC6A4 P31645 7/20 0.33
SLC6A3 Q01959 5/20 0.33
PPARG P37231 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.31
GAA P10253 2/20 0.31
GFER P55789 1/20 0.31
MAPT P10636 1/20 0.31
PIK3CA P42336 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
SCHEMBL21978548 1.00 ATM (0.37) ATMERN1SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL21994892 0.92 DGAT1 (0.34) ATMERN1PPARGGAAGFER
SCHEMBL21994667 0.88 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3USP2TP53
SCHEMBL22035325 0.88 ERN1 (0.36) ATMERN1PPARGUSP2TP53
SCHEMBL30660153 0.88 ERN1 (0.36) ATMERN1PPARGUSP2TP53
SCHEMBL21994796 0.82 MAPT (0.36) SLC6A2SLC6A4SLC6A3PPARGUSP2
SCHEMBL21978708 0.81 PCSK9 (0.40) ATMSLC6A2SLC6A4SLC6A3
SCHEMBL21978392 0.79 GAA (0.38) PPARGTP53MAPK1KDM4EALDH1A1
SCHEMBL21978877 0.79 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL22035323 0.78 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3PPARGKDM4E

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-113166114-B Cyclic tetramer compounds as inhibitors of proprotein convertase subtilisin/KEXIN type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-03 CN disclosed