SCHEMBL3398119

SCHEMBL3398119

Cc1c(Cl)c(=O)c(-c2ccc(-c3ccc(CN(C)Cc4ccc(OC(F)(F)F)cc4)o3)cc2)c(C)n1OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 4/20 0.46
SCN10A Q9Y5Y9 1/20 0.38
ABCB1 P08183 1/20 0.36
MCHR1 Q99705 1/20 0.35
LSS P48449 1/20 0.34
ESR1 P03372 2/20 0.33
GRM2 Q14416 1/20 0.32
PTGER4 P35408 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A9 P48067 1/20 0.31
SERPINE1 P05121 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
SCHEMBL3398158 0.92 LSS (0.38) PRMT1LSSGRM2PTGER4SERPINE1
SCHEMBL3395496 0.86 HDAC3 (0.35) PRMT1MCHR1LSSESR1GRM2
Trifluoroacetic Acid SCHEMBL3398116 0.81 PRMT1 (0.47) PRMT1SCN10AABCB1MCHR1ESR1
SCHEMBL3709650 0.81 PRMT1 (0.51) PRMT1SCN10AABCB1MCHR1ESR1
Hydrochloric Acid SCHEMBL3398629 0.80 PRMT1 (0.52) PRMT1SCN10AABCB1MCHR1ESR1
SCHEMBL3392702 0.77 ACACB (0.34) LSS
SCHEMBL3392207 0.74 PRMT1 (0.62) PRMT1SCN10AABCB1ALDH1A1MAPT
SCHEMBL3395850 0.73 PRMT1 (0.59) PRMT1SCN10AABCB1MCHR1LSS
Trifluoroacetic Acid SCHEMBL3398157 0.70 SERPINE1 (0.40) LSSESR1GRM2PTGER4SERPINE1
SCHEMBL3713576 0.70 SLC2A1 (0.42) PRMT1LSSGRM2ALDH1A1SERPINE1

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