SCHEMBL3797348

SCHEMBL3797348

COc1cccc(Oc2ncc(-c3cnc(-c4c(F)cccc4Cl)[nH]3)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.52
HPGDS O60760 6/20 0.48
ORAI1 Q96D31 2/20 0.44
NPY5R Q15761 1/20 0.44
JAK2 O60674 1/20 0.44
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN2A Q99250 1/20 0.39
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37

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
SCHEMBL13076187 0.82 PTGES (0.44) PTGESORAI1JAK2MEN1HTT
SCHEMBL3798806 0.80 PTGES (0.42) PTGESORAI1JAK2MEN1HTT
SCHEMBL3799446 0.79 PTGES (0.52) PTGESHPGDSORAI1NPY5RJAK2
SCHEMBL3795476 0.75 PTGES (0.60) PTGESHPGDSORAI1JAK2SCN2A
SCHEMBL3795312 0.73 PTGES (0.49) PTGESHPGDSORAI1NPY5RJAK2
SCHEMBL3794463 0.73 PTGES (0.67) PTGESHPGDSORAI1JAK2SCN2A
SCHEMBL3794732 0.71 PTGES (0.41) PTGESORAI1JAK2
SCHEMBL3796195 0.69 PTGES (0.50) PTGESHPGDSORAI1JAK2SCN2A
SCHEMBL13075538 0.69 PTGES (0.49) PTGESHPGDSJAK2MEN1KMT2A
SCHEMBL3792008 0.68 PTGES (0.62) PTGESHPGDSJAK2SCN2A

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
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO claimed