Zinc Ion

Zinc Ion

SCHEMBL29660558

NCc1c(CC(=O)[O-])c(=O)oc2ccccc12.NCc1c(CC(=O)[O-])c(=O)oc2ccccc12.[Zn+2]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
NQO1 P15559 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE4D Q08499 1/20 0.48
PCSK7 Q16549 1/20 0.48
GPR35 Q9HC97 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 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
SCHEMBL2522178 0.85 ALDH1A1 (0.50) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL10349945 0.84 ALDH1A1 (0.49) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL2028247 0.79 ALDH1A1 (0.50) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL10710132 0.78 CA12 (0.49) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL28719517 0.72 NQO1 (0.55) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL28455189 0.72 ALDH1A1 (0.47) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL29801774 0.70 ALDH1A1 (0.51) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL1568301 0.70 NQO1 (0.66) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL14169915 0.69 NQO1 (0.75) ALDH1A1NQO1LMNAMEN1KMT2A
SCHEMBL3931144 0.69 GAA (0.57) ALDH1A1NQO1LMNAMEN1KMT2A

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
US-11371938-B2 Nanomaterial-based bacterial sensors AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-06-28 US claimed
US-11371938-B2 Nanomaterial-based bacterial sensors AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-06-28 US disclosed