SCHEMBL4027480

SCHEMBL4027480

CC(C)COC(=O)Nc1cccnn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
FFAR2 O15552 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
LMNA P02545 3/20 0.44
MAOB P27338 1/20 0.42
GLS O94925 1/20 0.41
HTT P42858 3/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1012144 0.83 KMT2A (0.53) KDM4EFFAR2ALDH1A1HSD17B10MAPK1
SCHEMBL22793352 0.81 GAA (0.54) KDM4EALDH1A1LMNA
SCHEMBL19116508 0.77 SMN1; SMN2 (0.66) KDM4EFFAR2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3272690 0.77 FFAR2 (0.41) FFAR2MEN1KMT2A
SCHEMBL19111002 0.75 FFAR2 (0.48) FFAR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL19699538 0.74 FFAR2 (0.61) KDM4EFFAR2ALDH1A1TSHRMAPT
SCHEMBL20935120 0.74 SMN1; SMN2 (0.47) KDM4EALDH1A1TSHRHSD17B10MAPK1
SCHEMBL4093611 0.74 NAMPT (0.46) FFAR2MEN1KMT2A
SCHEMBL31038470 0.74 NAMPT (0.46) FFAR2MEN1KMT2A
SCHEMBL20188582 0.74 ALDH1A1 (0.53) KDM4EALDH1A1TSHRHSD17B10MAPT

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-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed