SCHEMBL2862978

SCHEMBL2862978

O=C(Nc1ccncc1)Oc1cnn(-c2ccc(F)c(F)c2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.41
TRPC1 P48995 2/20 0.38
TRPC3 Q13507 2/20 0.38
STIM1 Q13586 2/20 0.38
ORAI1 Q96D31 2/20 0.38
NTRK1 P04629 1/20 0.37
EPHX2 P34913 2/20 0.37
MALT1 Q9UDY8 3/20 0.36
STIM2 Q9P246 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.35
CRACR2A Q9BSW2 1/20 0.35
AXL P30530 1/20 0.35
MST1R Q04912 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 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
SCHEMBL2850524 0.87 MAPT (0.43) METTRPC1TRPC3STIM1ORAI1
SCHEMBL2855950 0.87 POLB (0.41) METMALT1MAPTLMNARAB9A
SCHEMBL2859873 0.86 KCNQ3 (0.46) METTRPC1TRPC3STIM1ORAI1
SCHEMBL2853154 0.83 MAPT (0.44) METTRPC1TRPC3STIM1ORAI1
SCHEMBL2855275 0.83 MAPT (0.45) METTRPC1TRPC3STIM1ORAI1
SCHEMBL2856272 0.82 MALT1 (0.53) METTRPC1TRPC3STIM1ORAI1
SCHEMBL2856585 0.81 CA1 (0.44) MEN1KMT2A
SCHEMBL2860990 0.81 KEAP1 (0.43) EPHX2MALT1MAPTMEN1LMNA
SCHEMBL2852244 0.80 MAPT (0.48) METTRPC1TRPC3STIM1ORAI1
SCHEMBL2853065 0.79 NR3C1 (0.46) TRPC1TRPC3STIM1ORAI1STIM2

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