SCHEMBL11412901

SCHEMBL11412901

O=S(=O)(c1ccc(O)c(Cl)c1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.50
EPAS1 Q99814 9/20 0.48
P2RX1 P51575 1/20 0.47
HSD17B3 P37058 1/20 0.46
HSD17B2 P37059 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESPL1 Q14674 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL11058774 0.81 PTGS1 (0.46) MEN1KMT2AALDH1A1HSD17B3HSD17B2
SCHEMBL16555813 0.79 EPAS1 (0.56) MEN1KMT2AALDH1A1EPAS1PTGS1
SCHEMBL11882785 0.79 HSD17B3 (0.50) HSD17B3HSD17B2PTGS1PTGS2CA2
SCHEMBL68932 0.78 GAA (0.57) ALDH1A1HSD17B3HSD17B2PTGS1PTGS2
SCHEMBL29598983 0.78 GAA (0.57) ALDH1A1HSD17B3HSD17B2PTGS1PTGS2
SCHEMBL9341624 0.78 GAA (0.57) ALDH1A1HSD17B3HSD17B2PTGS1PTGS2
SCHEMBL21728893 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1EPAS1PTGS1
SCHEMBL1881348 0.78 ALDH1A1 (0.70) MEN1KMT2AALDH1A1EPAS1CA2
SCHEMBL11409224 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1EPAS1P2RX1
SCHEMBL3021489 0.78 ALDH1A1 (0.70) MEN1KMT2AALDH1A1P2RX1CA2

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
US-4195082-A Combating arthropods with 0-alkyl-0-trifluoromethylsulphonylphenyl-thiono (thiol)-phosphoric acid esters BAYER AKTIENGESELLSCHAFT (DE) 1980-03-25 US disclosed