SCHEMBL2850855

SCHEMBL2850855

C=C(C)c1ccccc1NC(=O)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
MALT1 Q9UDY8 11/20 0.34
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL2852605 0.87 HPGD (0.37) MALT1MAPTRXFP1KDM4EALDH1A1
SCHEMBL2855477 0.85 MAPT (0.41) MAPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL2852387 0.84 P2RX7 (0.37) KEAP1NFE2L2MALT1MAPTRXFP1
SCHEMBL2850388 0.83 LMNA (0.35) MALT1MAPTRXFP1KDM4EALDH1A1
SCHEMBL2857955 0.83 NPY5R (0.42) KEAP1NFE2L2MALT1MAPTALDH1A1
SCHEMBL2853031 0.80 MAPT (0.41) MAPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL2852553 0.79 MALT1 (0.40) KEAP1NFE2L2MALT1MAPTKDM4E
SCHEMBL2856974 0.79 MAPT (0.39) KEAP1NFE2L2MALT1MAPTKDM4E
SCHEMBL2852401 0.77 L3MBTL1 (0.39) RXFP1ALDH1A1SMN1; SMN2
SCHEMBL2854492 0.77 MAPT (0.42) MALT1MAPTKDM4EALDH1A1SMN1; SMN2

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