SCHEMBL3794166

SCHEMBL3794166

O=C(O)c1ccc2oc(-c3cnc(-c4c(F)cccc4Cl)[nH]3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.47
PIM1 P11309 2/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
FFAR1 O14842 1/20 0.38
JAK2 O60674 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HTR5A P47898 1/20 0.37
TTR P02766 3/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL3795969 0.84 PTGES (0.56) PTGESPIM1CSNK2A2CSNK2BPIM3
SCHEMBL3792228 0.81 PTGES (0.39) PTGESPIM1CSNK2A2CSNK2BPIM3
SCHEMBL3790901 0.70 PTGES (0.39) PTGESPIM1CSNK2A2CSNK2BPIM3
SCHEMBL3792008 0.70 PTGES (0.62) PTGESJAK2TTR
SCHEMBL3177289 0.70 NR4A2 (0.58) PTGESMAPTTDP1TP53POLB
SCHEMBL2360771 0.70 PTGES (0.50) PTGESJAK2TTR
SCHEMBL4356662 0.67 PTGES (0.82) PTGESJAK2
SCHEMBL3797090 0.66 RHEB (0.41) PTGESMAPTTP53
SCHEMBL2361133 0.66 PTGES (0.53) PTGESJAK2TTR
SCHEMBL3801705 0.65 PTGES (0.58) PTGESJAK2TDP1

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 disclosed