SCHEMBL7785290

SCHEMBL7785290

C=CCOc1nccc(-c2cccc(C(O)C(F)(F)F)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.36
KMO O15229 2/20 0.35
APP P05067 2/20 0.33
PIK3CA P42336 4/20 0.33
SCN9A Q15858 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
CETP P11597 2/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL7865028 0.85 CDK8 (0.41) KMOPIK3CAALDH1A1
SCHEMBL7795334 0.84 KMO (0.36) KDM5BKMOAPPPIK3CAFGFR3
SCHEMBL7791012 0.84 KDM5B (0.37) KDM5BKMOAPPSCN9ACETP
SCHEMBL7785299 0.82 KMO (0.43) KDM5BKMOAPP
SCHEMBL24653903 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL8517606 0.74 ASIC3 (0.35) KMOPIK3CAFGFR3KDR
SCHEMBL12742917 0.72 MAPT (0.34) KMOPIK3CARXRAGRIN1GRIN2B
SCHEMBL8631993 0.70 MAPT (0.34)
SCHEMBL7856804 0.70 CDK8 (0.38) KMOPIK3CAALDH1A1
SCHEMBL7864423 0.68 CDK8 (0.43) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435632-B1 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL CO (JP) 2001-11-28 EP disclosed
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed