SCHEMBL2854500

SCHEMBL2854500

CC(C)N(c1cnc(NC(=O)Oc2cnn(-c3ccc(F)c(F)c3)c2C(F)(F)F)nc1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.34
TRPV1 Q8NER1 2/20 0.33
MALT1 Q9UDY8 4/20 0.33
KEAP1 Q14145 4/20 0.32
NFE2L2 Q16236 4/20 0.32
MST1R Q04912 1/20 0.32
DHODH Q02127 1/20 0.31
CCR1 P32246 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPC1 P48995 2/20 0.31
TRPC3 Q13507 2/20 0.31
STIM1 Q13586 2/20 0.31
ORAI1 Q96D31 2/20 0.31
STIM2 Q9P246 1/20 0.31

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
SCHEMBL2852952 0.89 SMN1; SMN2 (0.38) TRPV1KEAP1NFE2L2CCR1MAPT
SCHEMBL2850621 0.86 MAPT (0.38) MAPTKDM4EALDH1A1TRPC1TRPC3
SCHEMBL2859873 0.78 KCNQ3 (0.46) METMALT1MAPTNPSR1TRPC1
SCHEMBL2862978 0.77 MET (0.41) METMALT1MST1RMAPTNPSR1
SCHEMBL2860990 0.77 KEAP1 (0.43) TRPV1MALT1KEAP1NFE2L2CCR1
SCHEMBL2856585 0.75 CA1 (0.44) KEAP1NFE2L2
SCHEMBL2849954 0.74 MAPT (0.46) TRPV1MAPTNPSR1
SCHEMBL2853154 0.73 MAPT (0.44) METMST1RMAPTNPSR1TRPC1
SCHEMBL2850712 0.71 MAPT (0.41) MALT1CCR1MAPTKDM4EALDH1A1
SCHEMBL2854324 0.71 CCR1 (0.51) CCR1

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