SCHEMBL2852028

SCHEMBL2852028

CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRAF P15056 1/20 0.40
CCR1 P32246 2/20 0.40
MALT1 Q9UDY8 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
F2 P00734 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL13513684 0.80 CCR1 (0.54) MAPTNR1H4KEAP1NFE2L2KMT2A
SCHEMBL2850859 0.79 KEAP1 (0.51) MAPTNR1H4KEAP1NFE2L2KMT2A
SCHEMBL2852325 0.79 KEAP1 (0.51) MAPTNR1H4KEAP1NFE2L2KMT2A
SCHEMBL2857470 0.78 MAPT (0.46) MAPTKEAP1NFE2L2KMT2AMEN1
SCHEMBL14258152 0.78 KEAP1 (0.48) MAPTNR1H4KEAP1NFE2L2KMT2A
SCHEMBL2858034 0.77 BRAF (0.43) MAPTNR1H4LMNABRAFCCR1
SCHEMBL2858036 0.77 BRAF (0.44) MAPTNR1H4LMNABRAFMALT1
SCHEMBL2857207 0.75 MAPT (0.43) MAPTKEAP1NFE2L2LMNAKDM4E
SCHEMBL2852818 0.75 NPC1 (0.50) MAPTNR1H4KMT2ABRAFCCR1
SCHEMBL2854223 0.75 MAPT (0.43) MAPTKEAP1NFE2L2KMT2AMEN1

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