SCHEMBL2858340

SCHEMBL2858340

O=C(Nc1nccc2ccccc12)Oc1cnn(-c2ncccn2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 14/20 0.42
PHGDH O43175 1/20 0.37
CNR2 P34972 2/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 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
SCHEMBL2856635 0.90 MALT1 (0.42) MALT1PHGDH
SCHEMBL2850882 0.86 MALT1 (0.44) MALT1PHGDH
SCHEMBL2853326 0.85 MALT1 (0.39) MALT1PHGDH
SCHEMBL2855927 0.82 MALT1 (0.57) MALT1
SCHEMBL2854678 0.78 ATR (0.40)
SCHEMBL2857444 0.76 ALDH1A1 (0.42) MALT1KMT2A
SCHEMBL2853241 0.76 SMN1; SMN2 (0.41) KMT2A
SCHEMBL2861607 0.76 TRPV1 (0.42) KMT2A
SCHEMBL2857337 0.76 KMT2A (0.43) MALT1HSP90AA1KMT2A
SCHEMBL2850388 0.75 LMNA (0.35) MALT1KMT2A

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