SCHEMBL325900

SCHEMBL325900

O=C(O)Nc1cc(-c2cc(C(F)(F)F)ccc2F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 3/20 0.48
CTSA P10619 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
MAPK14 Q16539 2/20 0.43
NR3C2 P08235 3/20 0.43
FFAR4 Q5NUL3 1/20 0.42
BTK Q06187 3/20 0.42
ABL1 P00519 1/20 0.42
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
MPL P40238 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL10129965 0.83 PIK3C3 (0.43) SORT1CTSAPIK3C3FFAR4BRAF
SCHEMBL2635853 0.80 ALDH1A1 (0.56) SORT1NR3C2BTKKDRALDH1A1
SCHEMBL31264157 0.80 ALDH1A1 (0.56) SORT1NR3C2BTKKDRALDH1A1
SCHEMBL25378471 0.76 MAPK14 (0.42) SORT1PIK3C3MAPK14NR3C2BRAF
SCHEMBL14891241 0.73 CTSA (0.42) CTSAFFAR4MPL
SCHEMBL2640650 0.73 NOS3 (0.63) SORT1NR3C2BTKKDRALDH1A1
SCHEMBL13382940 0.72 MPL (0.45) CTSAFFAR4MPL
SCHEMBL1094734 0.72 TOP2A (0.44) PIK3C3MAPK14NR3C2ABL1
SCHEMBL29531918 0.71 WNT3A (0.50) PIK3C3ABL1
SCHEMBL27220588 0.71 TGFBR1 (0.49) PIK3C3MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590957-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-12 EP disclosed
EP-2590957-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004714-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed