SCHEMBL2856129

SCHEMBL2856129

O=C(NC(c1ccccn1)c1ccccn1)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
MALT1 Q9UDY8 8/20 0.34
CNR2 P34972 4/20 0.34
CNR1 P21554 1/20 0.34
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR3 Q99500 1/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2860499 0.90 RAB9A (0.35) DRD2KEAP1NFE2L2CNR2CNR1
SCHEMBL2854514 0.85 CNR2 (0.35) DRD2CNR2CNR1S1PR2S1PR4
SCHEMBL2855566 0.85 MALT1 (0.44) MALT1MAPT
SCHEMBL2862815 0.85 DRD2 (0.41) DRD2MALT1CNR1MAPK1MAPT
SCHEMBL2859870 0.80 TLR7 (0.38) MAPK1MAPT
SCHEMBL2852553 0.78 MALT1 (0.40) KEAP1NFE2L2MALT1MAPT
SCHEMBL2850882 0.77 MALT1 (0.44) MALT1
SCHEMBL2852401 0.76 L3MBTL1 (0.39)
SCHEMBL2852387 0.76 P2RX7 (0.37) KEAP1NFE2L2MALT1MAPT
SCHEMBL2854492 0.74 MAPT (0.42) MALT1MAPT

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