SCHEMBL8740250

SCHEMBL8740250

COc1cccc(C(F)(F)F)c1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.43
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR1H2 P55055 2/20 0.40
MAOB P27338 1/20 0.40
AR P10275 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A12 Q96S37 2/20 0.38
ATM Q13315 1/20 0.38
PTGS2 P35354 1/20 0.38
NR1H3 Q13133 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
SCHEMBL3598103 0.85 NFE2L2 (0.42) NFE2L2MAOBARGAAKMT2A
SCHEMBL6630905 0.85 NFE2L2 (0.42) NFE2L2LMNAMAOBARGAA
SCHEMBL8854736 0.85 NFE2L2 (0.42) NFE2L2LMNAMAOBARGAA
SCHEMBL31172692 0.85 NFE2L2 (0.42) NFE2L2MAOBARGAAKMT2A
SCHEMBL8854731 0.82 NFE2L2 (0.40) NFE2L2LMNAMAOBARGAA
Hydrochloric Acid SCHEMBL27480628 0.82 NFE2L2 (0.35) NFE2L2KDM4ELMNANPSR1NR1H2
SCHEMBL25044629 0.81 CA2 (0.48) KDM4EMITFLMNAHPGDHTT
SCHEMBL30839044 0.79 SLC22A12 (0.36) NFE2L2NR1H2SLC22A12NR1H3
SCHEMBL17038538 0.77 AR (0.42) NFE2L2KDM4ELMNAMAOBAR
SCHEMBL8854433 0.77 NFE2L2 (0.38) NFE2L2LMNAMAOBARGAA

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-5616789-A CHEMICAL INTERMEDIATE FOR 2-PHENYLPYRIDAZINE HERBICIDE MONSANTO COMPANY (US) 1997-04-01 US disclosed