SCHEMBL2852387

SCHEMBL2852387

O=C(Nc1ccccc1OC(F)(F)F)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
ATR Q13535 1/20 0.36
MALT1 Q9UDY8 5/20 0.35
GAA P10253 2/20 0.34
P2RY1 P47900 2/20 0.34
ANO1 Q5XXA6 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CXCR2 P25025 1/20 0.33
IDH1 O75874 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL2857586 0.86 ATR (0.39) P2RX7ATRMALT1GAAP2RY1
SCHEMBL2857955 0.85 NPY5R (0.42) MALT1KEAP1NFE2L2MAPT
SCHEMBL2855775 0.84 P2RY1 (0.44) P2RX7GAAP2RY1ANO1KDM4E
SCHEMBL2850855 0.84 KEAP1 (0.36) MALT1RXFP1KEAP1NFE2L2KDM4E
SCHEMBL2850763 0.84 MAPT (0.48) ATRGAAP2RY1KDM4EMAPT
SCHEMBL2854678 0.82 ATR (0.40) P2RX7ATRGAAP2RY1ANO1
SCHEMBL2858606 0.81 P2RY1 (0.47) GAAP2RY1KDM4EMAPT
SCHEMBL2852553 0.81 MALT1 (0.40) MALT1KEAP1NFE2L2KDM4EMAPT
SCHEMBL2854492 0.80 MAPT (0.42) MALT1GAAKDM4EMAPT
SCHEMBL2852401 0.80 L3MBTL1 (0.39) RXFP1

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