Zinc Ion

Zinc Ion

SCHEMBL11233374

O=C1C2C=CCCC2C(=O)N1SC(Cl)(Cl)Cl.S=C([S-])NCCNC(=S)[S-].[Zn+2]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Folpet SCHEMBL11225944 0.92 ALDH1A1 (0.36) ALDH1A1CYP3A4HPGDALOX15MAPK1
Zinc Ion SCHEMBL11218497 0.89 ALDH1A1 (0.34) ALDH1A1CYP3A4HPGDALOX15MAPK1
SCHEMBL54010 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4HPGDALOX15MAPK1
Captan SCHEMBL11365785 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDALOX15MAPK1
Captan SCHEMBL8409894 0.79 ALDH1A1 (0.69) ALDH1A1CYP3A4HPGDALOX15MAPK1
SCHEMBL11857113 0.73 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDALOX15MAPK1
SCHEMBL54535 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDALOX15MAPK1
SCHEMBL11379731 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDALOX15MAPK1
SCHEMBL11383721 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDALOX15MAPK1
Folpet SCHEMBL10548352 0.68 CA12 (0.38) ALDH1A1CYP3A4HPGDALOX15MAPK1

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
EP-0074005-A1 Fungicides containing phenylpropylammonium salt, and process for combating fungi BASF Aktiengesellschaft (DE) 1983-03-16 EP disclosed