SCHEMBL2860210

SCHEMBL2860210

CCN(CC)C(=O)c1cccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPC1 P48995 2/20 0.38
TRPC3 Q13507 2/20 0.38
STIM1 Q13586 2/20 0.38
ORAI1 Q96D31 2/20 0.38
STIM2 Q9P246 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CCR1 P32246 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2860103 0.92 NR3C1 (0.44) NR3C1MAPTKEAP1NFE2L2SMN1; SMN2
SCHEMBL2860939 0.89 LMNA (0.45) MAPTMEN1KMT2ACCR1TP53
SCHEMBL2860829 0.86 TNKS (0.42) MAPTMEN1KMT2AORAI1CCR1
SCHEMBL2850258 0.85 MAPT (0.51) MAPTMEN1KMT2ACCR1SMN1; SMN2
SCHEMBL2856756 0.84 ACHE (0.40) MAPTMEN1KMT2AORAI1SMN1; SMN2
SCHEMBL2853258 0.84 NPY5R (0.45) MAPTMEN1KMT2ATRPC1TRPC3
SCHEMBL2848615 0.84 MAPT (0.44) MAPTMEN1KMT2ATRPC1TRPC3
SCHEMBL2856561 0.83 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2859427 0.83 MAPT (0.42) MAPTMEN1KMT2ATRPC1TRPC3
SCHEMBL2854221 0.83 MAPT (0.51) NR3C1MAPTMEN1KMT2ACCR1

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