SCHEMBL6922731

SCHEMBL6922731

CCOC(=O)c1cn(-c2cc(C3CCCCC3)oc(=O)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
HCRTR2 O43614 1/20 0.35
CSNK1D P48730 1/20 0.34
HSD17B10 Q99714 2/20 0.34
USP30 Q70CQ3 1/20 0.34
MLLT3 P42568 1/20 0.34
MLLT1 Q03111 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7154816 0.81 SYK (0.35) NOTUMSMN1; SMN2GRM5ALDH1A1MEN1
SCHEMBL6924757 0.74 P4HTM (0.34) GRM5
SCHEMBL22920208 0.71 ALDH1A1 (0.45) NOTUMSMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL15236764 0.71 ALDH1A1 (0.45) NOTUMSMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL9465064 0.71 NOTUM (0.56) NOTUMGRM5USP30MLLT3MLLT1
SCHEMBL28934722 0.70 NOTUM (0.45) NOTUMSMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL891991 0.70 S1PR3 (0.55) SMN1; SMN2HCRTR2HSD17B10NPC1RAB9A
SCHEMBL28312083 0.70 NOTUM (0.53) NOTUM
SCHEMBL28875500 0.69 NOTUM (0.53) NOTUM
SCHEMBL892519 0.69 HSD17B10 (0.53) SMN1; SMN2HCRTR2HSD17B10NPC1RAB9A

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed