SCHEMBL5590035

SCHEMBL5590035

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccncc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 5/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
HTT P42858 1/20 0.53
POLB P06746 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
ATAD2 Q6PL18 1/20 0.52
KMT2A Q03164 6/20 0.51

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
SCHEMBL5590046 1.00 NOTUM (0.70) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL17945784 0.95 NOTUM (0.71) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL24527288 0.95 NOTUM (0.71) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL2251147 0.95 NOTUM (0.71) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL19238746 0.95 NOTUM (0.71) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL25460900 0.89 NOTUM (0.62) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL23542897 0.89 SMN1; SMN2 (0.67) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL17343218 0.89 NOTUM (0.62) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL19048700 0.89 ADORA2A (0.72) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL25472238 0.89 NOTUM (0.56) NOTUMSMN1; SMN2L3MBTL1MAPTNPC1

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-20070020519-A1 Anode active material, manufacturing method thereof and lithium battery using the anode active material SAMSUNG SDI CO., LTD. (KR) 2007-01-25 US disclosed