SCHEMBL5867339

SCHEMBL5867339

O=C(O)c1cnc(C(F)(F)F)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 12/20 0.51
KDM4A O75164 12/20 0.51
HIF1AN Q9NWT6 12/20 0.51
KDM2A Q9Y2K7 12/20 0.51
KDM4D Q6B0I6 11/20 0.51
HSD17B2 P37059 1/20 0.45
KDM5B Q9UGL1 10/20 0.45
KDM3B Q7LBC6 10/20 0.45
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ASPH Q12797 1/20 0.41
PKM P14618 1/20 0.40
NOTUM Q6P988 1/20 0.39
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HCAR2 Q8TDS4 1/20 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
SCHEMBL11630106 0.84 HSD17B2 (0.44) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL2219244 0.82 KDM6B (0.60) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL4415502 0.77 KDM4E (0.61) HSD17B2KDM4EHPGD
SCHEMBL23833726 0.76 PIN1 (0.46) HSD17B2KDM4EHPGDASPHPKM
SCHEMBL3586816 0.73 COMT (0.68) KDM4E
SCHEMBL23900414 0.72 KDM6B (0.61) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL15349327 0.72 KDM6B (0.56) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL24596395 0.72 HCAR2 (0.40) HSD17B2PKMKDM5AKDM4CHCAR2
SCHEMBL22867221 0.70 HSD17B2 (0.65) HSD17B2
SCHEMBL23900635 0.68 KDM6B (0.51) KDM6BKDM4AHIF1ANKDM2AKDM4D

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-2023083210-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海海雁医药科技有限公司 2023-05-19 WO disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed