SCHEMBL2854610

SCHEMBL2854610

O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
MAPT P10636 5/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
BRAF P15056 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2855767 0.90 P2RX1 (0.47) KEAP1NFE2L2MAPTCA1CA2
SCHEMBL2855798 0.90 MAPT (0.45) KEAP1NFE2L2MAPTCA1CA2
SCHEMBL2852372 0.90 MAPT (0.48) MAPTCA1CA2CA4CA7
SCHEMBL2859466 0.89 MAPT (0.46) KEAP1NFE2L2MAPTCA1CA2
SCHEMBL2863249 0.88 LMNA (0.48) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL2848317 0.88 MAPT (0.46) KEAP1NFE2L2MAPTBRAFKMT2A
SCHEMBL2852249 0.87 MAPT (0.43) KEAP1NFE2L2MAPTCA1CA2
SCHEMBL2850258 0.87 MAPT (0.51) MAPTBRAFKMT2AMEN1NPSR1
SCHEMBL2860427 0.86 MAPT (0.48) KEAP1NFE2L2MAPTKMT2AMEN1
SCHEMBL2856626 0.85 EPHX2 (0.53) MAPTKMT2AMEN1LMNAHTT

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed