SCHEMBL7616755

SCHEMBL7616755

CN1C(=O)c2ccccc2C1=O.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.63
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ PLIN1 O60240 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PLIN5 Q00G26 1/20 0.46
▸ ABHD5 Q8WTS1 1/20 0.46
▸ TTR P02766 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ APP P05067 1/20 0.44
▸ NR1H2 P55055 4/20 0.44
▸ NR1H3 Q13133 4/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ KDM4E B2RXH2 1/20 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
Methane SCHEMBL7626395 0.98 CASP3 (0.61) CASP3ALDH1A1HPGDPLIN1MAPT
SCHEMBL29511191 0.86 CASP3 (0.81) CASP3ALDH1A1HPGDMAPTALOX15
SCHEMBL28263 0.86 CASP3 (0.81) CASP3ALDH1A1HPGDMAPTALOX15
Iodide SCHEMBL30725965 0.84 CASP3 (0.77) CASP3ALDH1A1HPGDTTRCES1
SCHEMBL29025703 0.84 CASP3 (0.77) CASP3ALDH1A1HPGDMAPTALOX15
Water SCHEMBL9398503 0.84 CASP3 (0.77) CASP3ALDH1A1HPGDMAPTALOX15
Hydrogen Sulfide SCHEMBL11098631 0.84 CASP3 (0.77) CASP3ALDH1A1HPGDTTRCES1
Hydrogen Sulfide SCHEMBL11121709 0.84 CASP3 (0.77) CASP3ALDH1A1HPGDTTRCES1
Hydrochloric Acid SCHEMBL7736926 0.84 CASP3 (0.77) CASP3ALDH1A1HPGDMAPTALOX15
Phosphonic Acid SCHEMBL15546111 0.80 CASP3 (0.65) CASP3ALDH1A1HPGDTTRCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906177-B1 WOOD PRESERVATIVES LONZA AG (CH) 2002-03-20 — — EP disclosed
US-6180672-B1 CONTAINING MICROBIOCIDE LONZA AG (CH) 2001-01-30 — — US disclosed
EP-0906177-A1 WOOD PRESERVATIVES LONZA A.G. (CH) 1999-04-07 — — EP disclosed
WO-1997045236-A1 WOOD PRESERVATIVES LONZA AG (CH) 1997-12-04 — — WO disclosed
US-5186947-A Copper and zinc compounds, a metal fixing acid, and a polyethylenimine washout reducing compound DR. WOLMAN GMBH (DE) 1993-02-16 — — US disclosed
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