SCHEMBL46474

SCHEMBL46474

CN(C)c1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
TP53 P04637 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR9 Q9NR96 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL993694 0.86 L3MBTL1 (0.34) L3MBTL1RAB9ANPC1TP53MAPT
SCHEMBL16592816 0.85 MAOA (0.35) L3MBTL1RAB9ANPC1TP53MAPT
SCHEMBL43804 0.84 L3MBTL1 (0.60) L3MBTL1RAB9ANPC1TP53MAPT
SCHEMBL44713 0.83 ALDH1A1 (0.42) L3MBTL1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL43906 0.82 AAK1 (0.46) L3MBTL1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL16592883 0.82 L3MBTL1 (0.39) L3MBTL1RAB9ANPC1TP53MAPT
SCHEMBL44476 0.81 GAA (0.37) L3MBTL1RAB9ANPC1TP53MAPT
SCHEMBL44282 0.81 PPARA (0.41) L3MBTL1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13844881 0.81 L3MBTL1 (0.40) L3MBTL1RAB9ANPC1TP53MAPT
SCHEMBL44465 0.81 MAPK1 (0.45) L3MBTL1RAB9ANPC1TP53MAPT

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-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed