SCHEMBL2848489

SCHEMBL2848489

CN(Cc1ccccc1)C(=O)Oc1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
LIPE Q05469 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CCR1 P32246 1/20 0.42
KEAP1 Q14145 5/20 0.41
NFE2L2 Q16236 5/20 0.41
CARM1 Q86X55 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABHD6 Q9BV23 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RIPK1 Q13546 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
SCHEMBL2853814 0.89 LIPE (0.43) POLBLIPEALDH1A1KDM4EKEAP1
SCHEMBL2852844 0.84 LIPE (0.45) POLBLIPEALDH1A1KDM4ECCR1
SCHEMBL2859967 0.83 KEAP1 (0.52) POLBALDH1A1KDM4ECCR1KEAP1
SCHEMBL2858320 0.81 TP53 (0.48) MEN1KMT2A
SCHEMBL2852941 0.81 POLB (0.44) POLBALDH1A1KDM4ECCR1KEAP1
SCHEMBL2860476 0.79 CCR1 (0.54) LIPEKDM4ECCR1MAPT
SCHEMBL2853061 0.77 KDM4E (0.44) POLBALDH1A1KDM4ECCR1KEAP1
SCHEMBL2862837 0.76 CCR1 (0.61) KDM4ECCR1
SCHEMBL2856483 0.74 ALDH1A1 (0.45) POLBALDH1A1KDM4ECCR1SMN1; SMN2
SCHEMBL2856128 0.73 GRM5 (0.46) POLBALDH1A1KDM4EKEAP1NFE2L2

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