SCHEMBL1915285

SCHEMBL1915285

CCC(C)(C(N)=O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALOX5 P09917 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17439466 0.79 SMN1; SMN2 (0.41) MEN1KMT2APKMHIF1ASMN1; SMN2
SCHEMBL28639887 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1ADORA2ACNR1
SCHEMBL19615579 0.75 PKM (0.36) MEN1KMT2APKMHTTHIF1A
SCHEMBL30826356 0.74 ADORA2A (0.39) MEN1KMT2APKMHTTHIF1A
SCHEMBL17439469 0.73 KMT2A (0.46) MEN1KMT2AALOX5TSHR
SCHEMBL31026178 0.73 ALOX5 (0.39) MEN1KMT2APKMHTTHIF1A
SCHEMBL12243140 0.72 FBP1 (0.38) MEN1KMT2APKMHTTHIF1A
SCHEMBL22863282 0.72 FBP1 (0.38) MEN1KMT2APKMHTTHIF1A
SCHEMBL21791636 0.72 MEN1 (0.40) MEN1KMT2APKMHTTHIF1A
SCHEMBL27815006 0.72 ALDH1A1 (0.42) MEN1KMT2AHTTALDH1A1SMN1; SMN2

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-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO disclosed