SCHEMBL11245338

SCHEMBL11245338

O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1S(=O)(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
TTR P02766 1/20 0.64
PPOX P50336 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
FFAR1 O14842 5/20 0.54
MRGPRX4 Q96LA9 7/20 0.48

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
SCHEMBL6290662 0.85 MEN1 (0.72) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11243867 0.85 MEN1 (0.72) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10661473 0.83 MEN1 (0.69) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11116540 0.83 MEN1 (0.69) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8378139 0.83 MEN1 (0.69) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10665096 0.82 MEN1 (0.68) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10656214 0.82 MEN1 (0.68) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9796493 0.82 MEN1 (0.68) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9506722 0.81 MEN1 (0.66) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10665077 0.80 MEN1 (0.65) MEN1TTRPPOXKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334914-A PRE-AND POSTEMERGENT APPLICATION NIHON NOHYAKU CO., LTD. (JP) 1982-06-15 US disclosed
EP-0034457-A1 Benzoate derivative, method of preparing the same and use thereof NIHON NOHYAKU CO., LTD. (JP) 1981-08-26 EP disclosed