SCHEMBL30763535

SCHEMBL30763535

BrCCCCOC1=CN(Cc2ccccc2)CC=C1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 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
SCHEMBL28861954 0.71 SIGMAR1 (0.39) SIGMAR1
SCHEMBL27446514 0.70 SIGMAR1 (0.41) SIGMAR1
SCHEMBL21516061 0.68 LMNA (0.41) SIGMAR1
SCHEMBL4726231 0.68 SIGMAR1 (0.39) SIGMAR1
SCHEMBL6663998 0.66 KDM4E (0.35) SIGMAR1
SCHEMBL7940102 0.65 GSK3A (0.37) SIGMAR1
Bromide SCHEMBL31115579 0.63 SIGMAR1 (0.37) SIGMAR1
SCHEMBL6615747 0.61 GSK3A (0.43) SIGMAR1
SCHEMBL311427 0.61 KCNA3 (0.76)
SCHEMBL716935 0.60 TSHR (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624160-A Preparation method of cyclic substituted 2-pyridone compound 安徽中医药大学 2024-03-01 CN claimed
CN-117624160-A Preparation method of cyclic substituted 2-pyridone compound 安徽中医药大学 2024-03-01 CN disclosed