SCHEMBL15958653

SCHEMBL15958653

COc1nc2ccccc2nc1-c1[nH]nnc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
L3MBTL1 Q9Y468 6/20 0.49
LMNA P02545 4/20 0.49
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
GAA P10253 2/20 0.46
PDE10A Q9Y233 1/20 0.40
KMT2A Q03164 2/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL13595031 0.85 MEN1 (0.41) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL12669839 0.85 AKT1 (0.40) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL7735370 0.81 KDM4E (0.65) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL453506 0.72 KDM4E (0.48) KDM4EL3MBTL1LMNAALDH1A1NPSR1
SCHEMBL30364989 0.72 ALDH1A1 (0.53) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL15958639 0.71 KDM4E (0.51) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL7640450 0.70 NPC1 (0.43) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL15958641 0.69 KDM4E (0.45) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL7474377 0.68 NQO2 (0.56) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL28116018 0.67 TDP1 (0.50) KDM4EL3MBTL1LMNAALDH1A1TDP1

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-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed