SCHEMBL2854620

SCHEMBL2854620

NS(=O)(=O)c1cccc(NC(=O)Oc2cnn(-c3ccc(OC(F)(F)F)cc3)c2C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
RIPK1 Q13546 1/20 0.42
MLKL Q8NB16 1/20 0.42
RIPK3 Q9Y572 1/20 0.42

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
SCHEMBL2853595 0.91 LMNA (0.44) LMNASMN1; SMN2
SCHEMBL2861572 0.90 CA1 (0.49) CA1CA2CA12CA9
SCHEMBL2852372 0.89 MAPT (0.48) CA1CA2CA12CA9LMNA
SCHEMBL2856585 0.87 CA1 (0.44) CA1CA2CA12CA9
SCHEMBL2861646 0.86 NPC1 (0.42) RIPK1
SCHEMBL2850733 0.86 KEAP1 (0.46) CA1CA2CA12CA9
SCHEMBL2856867 0.85 NPC1 (0.53) LMNASMN1; SMN2
SCHEMBL2856588 0.82 KEAP1 (0.42) CA1CA2CA12CA9LMNA
SCHEMBL2859362 0.82 P2RX1 (0.48) KDR
SCHEMBL2856385 0.81 CCR1 (0.44) CA1CA2LMNA

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