SCHEMBL20109729

SCHEMBL20109729

CCC(=O)Cn1nnc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.63
MGAM O43451 8/20 0.63
AMY1A P0DUB6 8/20 0.63
SI P14410 8/20 0.63
MGAM2 Q2M2H8 8/20 0.63
RAB9A P51151 7/20 0.63
SLC9A1 P19634 2/20 0.62
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
EGLN3 Q9H6Z9 1/20 0.56
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL15149124 0.84 EGLN3 (0.70) GAAMGAMAMY1ASIMGAM2
SCHEMBL19085078 0.84 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL1689837 0.83 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL19834327 0.83 RAB9A (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL29625506 0.81 GAA (0.73) GAAMGAMAMY1ASIMGAM2
SCHEMBL361654 0.81 GAA (0.73) GAAMGAMAMY1ASIMGAM2
SCHEMBL21845212 0.81 SLC9A1 (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL2490943 0.80 TP53 (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL2070662 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL11524883 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2

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
US-20180118949-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS MILLIKEN & COMPANY 2018-05-03 US disclosed