SCHEMBL11420060

SCHEMBL11420060

O=S(=O)(c1ccc(O)cc1Cl)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD11B1 P28845 4/20 0.40
EPAS1 Q99814 10/20 0.40
VEGFA P15692 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TTR P02766 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL14215943 0.81 PDK2 (0.44) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL14215947 0.79 ESR1 (0.36) HSD17B10PDK2ESR1ESR2EPAS1
SCHEMBL3480246 0.79 KAT6A (0.38) ESR1ESR2EPAS1VEGFA
SCHEMBL16556209 0.79 ESR1 (0.38) ESR1ESR2EPAS1VEGFA
SCHEMBL69469 0.78 HSD17B10 (0.52) HSD17B10PDK2ESR1ESR2HSD11B1
SCHEMBL9694363 0.78 ALDH1A1 (0.40) ESR1ESR2EPAS1MEN1KMT2A
SCHEMBL2788764 0.78 HSD11B1 (0.51) HSD17B10HSD11B1EPAS1VEGFA
SCHEMBL15880399 0.76 TRPV4 (0.53) HSD17B10PDK2ESR1ESR2TTR
SCHEMBL1808946 0.76 HSD17B10 (0.50) HSD17B10PDK2ESR1ESR2TTR
SCHEMBL2789841 0.76 HSD11B1 (0.56) PDK2HSD11B1EPAS1MEN1KMT2A

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