SCHEMBL13845752

SCHEMBL13845752

CCOC(=O)c1nc(NC(=O)c2nc3ccccc3[nH]2)cn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
KLF5 Q13887 1/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4100177 0.87 MAPT (0.45) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL3989046 0.85 FAAH (0.46) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL10143997 0.80 SMN1; SMN2 (0.53) RPS6KA3MAPTKMT2AALDH1A1RAB9A
SCHEMBL4296230 0.77 HSD17B10 (0.61) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL13845690 0.76 RPS6KA3 (0.50) RPS6KA3MAPTKMT2AALDH1A1RAB9A
SCHEMBL13845779 0.73 RPS6KA3 (0.48) RPS6KA3MAPTKMT2ALMNAALDH1A1
SCHEMBL14072191 0.73 RPS6KA3 (0.47) RPS6KA3MAPTKMT2ALMNAALDH1A1
SCHEMBL14543365 0.72 RPS6KA3 (0.51) RPS6KA3MAPTLMNAALDH1A1RAB9A
SCHEMBL14072168 0.72 RPS6KA3 (0.48) RPS6KA3MAPTKMT2AALDH1A1RAB9A
SCHEMBL23745118 0.72 RPS6KA3 (0.43) RPS6KA3MAPTLMNARAB9ANPC1

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-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed