SCHEMBL11686358

SCHEMBL11686358

COc1ccc(S(=O)(=O)O)cc1NS(=O)(=O)c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.54
HTR6 P50406 2/20 0.48
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
FFAR1 O14842 3/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ERAP1 Q9NZ08 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL11684222 0.85 FFAR4 (0.54) FFAR4FFAR1MEN1KMT2A
SCHEMBL11684501 0.82 FFAR4 (0.54) FFAR4FFAR1MEN1KMT2A
SCHEMBL11685580 0.80 LMNA (0.54) HTR6ALDH1A1TP53MEN1MAPK1
SCHEMBL11243895 0.78 FFAR4 (0.54) FFAR4ALDH1A1FFAR1MEN1KMT2A
SCHEMBL11682704 0.78 FFAR4 (0.67) FFAR4TP53FFAR1MEN1ALOX15
Methane SCHEMBL11684647 0.77 FFAR4 (0.66) FFAR4TP53FFAR1MEN1ALOX15
SCHEMBL11685474 0.77 MAPT (0.59) ALDH1A1TP53MEN1MAPK1KMT2A
SCHEMBL11518943 0.76 FFAR4 (0.64) FFAR4FFAR1MEN1KMT2ACA1
SCHEMBL11682954 0.76 ALDH1A1 (0.54) HTR6ALDH1A1TP53MEN1MAPK1
Methane SCHEMBL11683666 0.75 FFAR4 (0.63) FFAR4FFAR1CA1CA2ERAP1

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-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 US disclosed