SCHEMBL2853326

SCHEMBL2853326

O=C(Nc1nccc2ccccc12)Oc1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.39
P2RY1 P47900 1/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TRPV1 Q8NER1 3/20 0.37
MET P08581 2/20 0.37
AXL P30530 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PHGDH O43175 1/20 0.36
ALDH1A1 P00352 2/20 0.35
IGF1R P08069 1/20 0.35
MST1R Q04912 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
SCHEMBL2850244 0.85 MALT1 (0.51) MALT1MAPTKDM4EMETAXL
SCHEMBL2858340 0.85 MALT1 (0.42) MALT1PHGDH
SCHEMBL2856635 0.83 MALT1 (0.42) MALT1KDM4EPHGDHALDH1A1
SCHEMBL2850882 0.81 MALT1 (0.44) MALT1PHGDH
SCHEMBL2858606 0.80 P2RY1 (0.47) P2RY1MAPTGAAKDM4EMET
SCHEMBL2855275 0.79 MAPT (0.45) P2RY1MAPTGAAKDM4ETRPV1
SCHEMBL2859870 0.76 TLR7 (0.38) P2RY1MAPTGAAKDM4EMET
SCHEMBL2856517 0.76 MAPT (0.42) P2RY1MAPTGAAKDM4EMET
SCHEMBL2861646 0.76 NPC1 (0.42) P2RY1MAPTGAAKDM4E
SCHEMBL2853088 0.76 NR3C1 (0.41) P2RY1MAPTALDH1A1

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