SCHEMBL3795502

SCHEMBL3795502

Fc1cccc(Cl)c1-c1nc(-c2cc3cc(-c4ccccc4)ccc3o2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.43
JAK2 O60674 1/20 0.38
FFAR1 O14842 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PTGS1 P23219 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3796734 1.00 PTGES (0.43) PTGESJAK2FFAR1PIM1CSNK2A2
SCHEMBL3791130 0.89 PTGES (0.42) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL3802320 0.89 PTGES (0.40) PTGESJAK2FFAR1PIM1CSNK2A2
SCHEMBL3798195 0.87 FFAR1 (0.37) PTGESFFAR1PIM1CSNK2A2CSNK2B
SCHEMBL3797090 0.85 RHEB (0.41) PTGESPTGS1
SCHEMBL3800146 0.85 PIM1 (0.49) PTGESPIM1CSNK2A2CSNK2BPIM3
SCHEMBL3796208 0.85 PTGES (0.48) PTGESPTGS1
SCHEMBL3792228 0.84 PTGES (0.39) PTGESFFAR1PIM1CSNK2A2CSNK2B
SCHEMBL3803252 0.84 MAPT (0.39) PTGESPIM1CSNK2A2CSNK2BPIM3
SCHEMBL3791956 0.82 PIM1 (0.35) PTGESFFAR1PIM1CSNK2A2CSNK2B

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