SCHEMBL17589738

SCHEMBL17589738

CC1=CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL33 O95760 2/20 0.46
MAPT P10636 8/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 5/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
APAF1 O14727 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
PKM P14618 2/20 0.41
PDE4B Q07343 1/20 0.39
LMNA P02545 1/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL17589732 0.87 IL33 (0.44) IL33MAPTALDH1A1MAPK1NPC1
SCHEMBL17589733 0.85 IL33 (0.43) IL33MAPTALDH1A1MAPK1NPC1
SCHEMBL17589740 0.81 IL33 (0.46) IL33MAPTALDH1A1MAPK1NPC1
SCHEMBL18862278 0.72 MAPT (0.59) IL33MAPTALDH1A1MAPK1NPC1
SCHEMBL16316318 0.72 ALDH1A1 (0.49) IL33MAPTALDH1A1MAPK1NPC1
SCHEMBL17589742 0.71 IL33 (0.45) IL33MAPTALDH1A1MAPK1NPC1
SCHEMBL623595 0.70 MAPK1 (0.49) IL33MAPTALDH1A1MAPK1NPC1
SCHEMBL17589737 0.70 KMT2A (0.43) IL33MAPTALDH1A1MAPK1NPC1
SCHEMBL623536 0.70 ALDH1A1 (0.52) MAPTALDH1A1MAPK1NPC1KMT2A
SCHEMBL622199 0.70 ALDH1A1 (0.49) IL33MAPTALDH1A1MAPK1NPC1

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-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed