SCHEMBL3398158

SCHEMBL3398158

Cc1c(Cl)c(=O)c(-c2ccc(-c3ccc(CN(C)Cc4ccc(OC(F)(F)F)cc4)cc3)cc2)c(C)n1OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.38
SERPINE1 P05121 4/20 0.37
PRMT6 Q96LA8 1/20 0.36
GRM2 Q14416 1/20 0.36
GNRHR P30968 3/20 0.33
PTGER4 P35408 1/20 0.33
PPARD Q03181 1/20 0.33
GCGR P47871 1/20 0.33
PRMT1 Q99873 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL3398119 0.92 PRMT1 (0.46) LSSSERPINE1GRM2PTGER4PRMT1
SCHEMBL3395496 0.90 HDAC3 (0.35) LSSGRM2GNRHRPRMT1
SCHEMBL3392702 0.82 ACACB (0.34) LSS
Trifluoroacetic Acid SCHEMBL3398157 0.77 SERPINE1 (0.40) LSSSERPINE1PRMT6GRM2PTGER4
SCHEMBL3712620 0.76 SLC2A1 (0.41) LSSSERPINE1PRMT6GRM2PRMT1
Hydrochloric Acid SCHEMBL3394437 0.75 SLC2A1 (0.40) LSSSERPINE1PRMT6GRM2PRMT1
SCHEMBL3713576 0.75 SLC2A1 (0.42) LSSSERPINE1PRMT6GRM2PRMT1
Hydrochloric Acid SCHEMBL3398480 0.74 SLC2A1 (0.41) LSSSERPINE1PRMT6GRM2PRMT1
SCHEMBL3390723 0.73 EPHX2 (0.36) GRM2
Trifluoroacetic Acid SCHEMBL3398116 0.71 PRMT1 (0.47) SERPINE1PTGER4PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP claimed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed