SCHEMBL4754928

SCHEMBL4754928

O=c1[nH]c(C(F)(F)F)nc2oncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
PKM P14618 1/20 0.49
HCAR2 Q8TDS4 2/20 0.45
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
RAD51 Q06609 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CSNK2A1 P68400 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MEN1 O00255 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
SCHEMBL3866809 0.74 PARP1 (0.44) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4755546 0.67 KDM5A (0.49) KDM5AKDM4CPKMHCAR2KDM4E
SCHEMBL30388114 0.66 PKM (1.00) KDM5AKDM4CPKMHCAR2KDM4E
SCHEMBL3118169 0.66 PKM (1.00) KDM5AKDM4CPKMHCAR2KDM4E
SCHEMBL20240259 0.65 ALDH1A1 (0.47) KDM5AKDM4CPKMHCAR2KDM4E
SCHEMBL30754559 0.64 KDM5A (0.56) KDM5AKDM4CPKMHCAR2KDM4E
SCHEMBL11782800 0.64 HSD17B10 (0.65) KDM5AKDM4CPKMHCAR2KDM4E
SCHEMBL20585318 0.63 KMT2A (0.54) KDM5AKDM4CPKMHCAR2KDM4E
Ammonia Solution, Strong SCHEMBL11782697 0.63 HSD17B10 (0.63) KDM5AKDM4CPKMHCAR2KDM4E
SCHEMBL23066107 0.62 PKM (0.64) KDM5AKDM4CPKMHCAR2KDM4E

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-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed