SCHEMBL2859873

SCHEMBL2859873

O=C(Nc1cnc(Cl)nc1)Oc1cnn(-c2ccc(F)c(F)c2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 7/20 0.46
KCNQ2 O43526 7/20 0.46
KCNQ5 Q9NR82 5/20 0.46
KCNE1 P15382 5/20 0.38
KCNQ1 P51787 5/20 0.38
P2RX7 Q99572 1/20 0.38
MET P08581 3/20 0.38
MALT1 Q9UDY8 5/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPC1 P48995 1/20 0.35
TRPC3 Q13507 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
STIM2 Q9P246 1/20 0.35

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
SCHEMBL2853154 0.86 MAPT (0.44) P2RX7METMAPTSMN1; SMN2NPSR1
SCHEMBL2862978 0.86 MET (0.41) METMALT1MAPTSMN1; SMN2NPSR1
SCHEMBL2852244 0.81 MAPT (0.48) METMAPTSMN1; SMN2NPSR1TRPC1
SCHEMBL2860990 0.79 KEAP1 (0.43) MALT1MAPT
SCHEMBL2856585 0.79 CA1 (0.44)
SCHEMBL2848317 0.78 MAPT (0.46) METMAPTSMN1; SMN2NPSR1TRPC1
SCHEMBL2854572 0.78 RAB9A (0.44) P2RX7MAPTSMN1; SMN2NPSR1
SCHEMBL2858182 0.78 P2RX7 (0.44) P2RX7MAPTNPSR1
SCHEMBL2850258 0.78 MAPT (0.51) MAPTSMN1; SMN2NPSR1
SCHEMBL2854500 0.78 MET (0.34) METMALT1MAPTNPSR1TRPC1

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