SCHEMBL2850244

SCHEMBL2850244

O=C(Nc1nccc2ccccc12)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 13/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MET P08581 2/20 0.47
AXL P30530 1/20 0.47
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MST1R Q04912 1/20 0.44

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
SCHEMBL2853326 0.85 MALT1 (0.39) MALT1KDM4EALDH1A1METAXL
SCHEMBL2855927 0.83 MALT1 (0.57) MALT1
SCHEMBL2852442 0.82 MALT1 (0.56) MALT1
SCHEMBL2855599 0.79 MALT1 (0.57) MALT1
SCHEMBL2849153 0.78 MAPT (0.56) MALT1KDM4EALDH1A1METAXL
SCHEMBL2855560 0.76 ALDH1A1 (0.49) KDM4EALDH1A1METAXLMAPT
SCHEMBL2856196 0.74 MAPT (0.70) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2852073 0.71 MAPT (0.71) KDM4EALDH1A1METAXLMAPT
SCHEMBL2857721 0.70 ALDH1A1 (0.52) KDM4EALDH1A1METAXLMAPT
SCHEMBL2855562 0.70 MAPT (0.46) KDM4EALDH1A1METAXLMAPT

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 2 patents. 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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed