SCHEMBL2850385

SCHEMBL2850385

NS(=O)(=O)c1ccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.50
CA1 P00915 8/20 0.50
CA9 Q16790 7/20 0.50
CA4 P22748 2/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 6/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS2 P35354 8/20 0.45
PTGS1 P23219 7/20 0.44
CA7 P43166 2/20 0.44
KDR P35968 1/20 0.44
PDPK1 O15530 1/20 0.44
MAPK9 P45984 1/20 0.43
EPHX2 P34913 1/20 0.43
LOX P28300 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
SCHEMBL2852244 0.91 MAPT (0.48) MAPTMEN1KMT2A
SCHEMBL2859374 0.90 MAPT (0.52) CA2CA1CA9CA4MAPT
SCHEMBL2852372 0.89 MAPT (0.48) CA2CA1CA9CA4MAPT
SCHEMBL2859712 0.87 CA1 (0.45) CA2CA1CA9CA4MAPT
SCHEMBL2853065 0.87 NR3C1 (0.46) MAPTMEN1KMT2A
SCHEMBL2848317 0.86 MAPT (0.46) MAPTMEN1KMT2A
SCHEMBL2860975 0.86 MAPT (0.49) MAPTMEN1KMT2AKDR
SCHEMBL2850524 0.85 MAPT (0.43) MAPTMEN1KMT2AEPHX2
SCHEMBL2848538 0.84 MAPT (0.45) MAPT
SCHEMBL2861576 0.84 MAPT (0.45) MAPT

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