SCHEMBL9751343

SCHEMBL9751343

NC(O)=S.O=C(O)CNC(O)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.44
ABAT P80404 1/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PLA2G2A P14555 1/20 0.36
CTH P32929 1/20 0.36
CYP1A2 P05177 1/20 0.34
APEX1 P27695 1/20 0.34
LDHA P00338 2/20 0.33
ECE1 P42892 1/20 0.33
LDHB P07195 1/20 0.33

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
SCHEMBL10630926 0.97 EGLN1 (0.43) EGLN1ABATMAPTALDH1A1LMNA
SCHEMBL11140818 0.92
SCHEMBL2820358 0.81
Toluene SCHEMBL2132567 0.80 ABAT (0.47) EGLN1ABATALDH1A1LMNAPTGS2
SCHEMBL27978496 0.79
SCHEMBL11392566 0.77 EGLN1 (0.48) EGLN1ABATMAPTALDH1A1LMNA
SCHEMBL6910661 0.76 EGLN1 (0.52) EGLN1ABATMAPTALDH1A1LMNA
SCHEMBL7457741 0.76 EGLN1 (0.52) EGLN1ABATMAPTALDH1A1LMNA
SCHEMBL10780861 0.75 ECE1 (0.45) EGLN1ALDH1A1LMNAKDM4ECA1
Hydrogen Peroxide SCHEMBL8356290 0.75 EGLN1 (0.44) EGLN1ABATMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387256-A4 METHOD OF REMOVING NITROGEN MONOXIDE FROM A NITROGEN MONOXIDE-CONTAINING GAS USING A WATER-SOLUBLE IRON-DITHIOCARBAMATE, XANTHATE OR THIOXANTHATE 1991-01-02 EP disclosed
EP-0387256-A1 METHOD OF REMOVING NITROGEN MONOXIDE FROM A NITROGEN MONOXIDE-CONTAINING GAS USING A WATER-SOLUBLE IRON-DITHIOCARBAMATE, XANTHATE OR THIOXANTHATE UNITED STATES DEPARTMENT OF ENERGY (US) 1990-09-19 EP disclosed
WO-1989001821-A1 METHOD OF REMOVING NITROGEN MONOXIDE FROM A NITROGEN MONOXIDE-CONTAINING GAS USING A WATER-SOLUBLE IRON-DITHIOCARBAMATE, XANTHATE OR THIOXANTHATE UNITED STATES DEPARTMENT OF ENERGY (US) 1989-03-09 WO disclosed
US-4702821-A SUPPRESSING COPPER, IRON OR LEAD WHILE RECOVERING MOLYBDENUM PHILLIPS PETROLEUM COMPANY (US) 1987-10-27 US disclosed