SCHEMBL9540638

SCHEMBL9540638

COC(=O)c1cn(CN(C)C)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.72
GAA P10253 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.64
TSHR P16473 1/20 0.64
LMNA P02545 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CNR1 P21554 1/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 3/20 0.55
BRD4 O60885 1/20 0.55
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL9353785 0.86 NR4A2 (0.68) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL9353793 0.85 NR4A2 (0.67) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL1855462 0.84 NR4A2 (1.00) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL6297494 0.82 NR4A2 (0.76) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL6984456 0.81 NR4A2 (0.78) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL31346908 0.81 GAA (0.79) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL15882147 0.80 NR4A2 (0.72) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL15971141 0.80 NR4A2 (0.72) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL31429438 0.80 NR4A2 (0.76) NR4A2GAAL3MBTL1TSHRLMNA
Fluoride SCHEMBL28025004 0.80 NR4A2 (0.76) NR4A2GAAL3MBTL1TSHRLMNA

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-1993014113-A1 PEPTIDES WITH TACHYKININ ANTAGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-22 WO disclosed