SCHEMBL28056874

SCHEMBL28056874

CCN(CC)CC.NCc1ccc(SC(O)=S)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.32

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
Ethylene SCHEMBL28056950 0.85 PNMT (0.35) PNMT
SCHEMBL28826651 0.76 ABAT (0.35) —
SCHEMBL28056873 0.76 MAPT (0.52) —
SCHEMBL28056866 0.74 SLC6A9 (0.43) —
SCHEMBL28056958 0.70 MGLL (0.41) —
SCHEMBL28056872 0.69 ALDH1A1 (0.42) —
SCHEMBL28056948 0.69 NPC1 (0.40) —
SCHEMBL28056953 0.68 KDM4E (0.36) —
SCHEMBL28056871 0.68 EPHX1 (0.35) —
SCHEMBL28056956 0.68 MAPT (0.41) —

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-103992265-B Two three bromo 1,3-bis-pyridine alkali propane and preparation method thereof, using method, recovery method and application XI'AN JIAOTONG UNIVERSITY (CN) 2016-02-24 — — CN disclosed
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