SCHEMBL2859967

SCHEMBL2859967

CN(Cc1ccccc1)C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.52
NFE2L2 Q16236 5/20 0.52
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK14 Q16539 1/20 0.47
CARM1 Q86X55 1/20 0.47
SPR P35270 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCD5 Q86SK9 1/20 0.44
CCR1 P32246 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2848306 0.88 MAPT (0.48) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL2854321 0.83 MAPT (0.53) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL2848489 0.83 POLB (0.44) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL2852336 0.80 SMN1; SMN2 (0.74) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL10364986 0.79 MAPT (0.65) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL2855132 0.78 MAPT (0.57) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL2854177 0.77 CCR1 (0.58) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL30147306 0.77 MAPT (0.57) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL10365006 0.76 MAPT (0.72) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL2854149 0.75 TP53 (0.50) POLBMAPTSMN1; SMN2KDM4EALDH1A1

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