Zinc Ion

Zinc Ion

SCHEMBL30711601

COc1ccc(C#N)c(CC(N)=O)c1F.[C-]#N.[C-]#N.[Zn+2]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KLKB1 P03952 5/20 0.36
F11 P03951 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AR P10275 2/20 0.35
CTSD P07339 1/20 0.35

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
SCHEMBL27033473 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL29174266 0.92 ALDH1A1 (0.40) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL23088012 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL29911448 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL17232476 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL27033342 0.75 MEN1 (0.42) ALDH1A1MAPTCYP1A2NPC1
SCHEMBL23088260 0.75 KDM4E (0.50) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL17221463 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL7369555 0.72 IMPDH2 (0.44) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL17229331 0.72 AR (0.46) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed