SCHEMBL12469276

SCHEMBL12469276

NC(=O)N(S)CC(c1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
EIF4E P06730 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
BACE1 P56817 1/20 0.35
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL16059522 1.00 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL16061091 0.83 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL468181 0.79 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL468068 0.76 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3926184 0.73 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL683502 0.72 MAPT (0.41) KDM4ENPC1MAPTLMNAMEN1
SCHEMBL501297 0.72 MAPT (0.41) KDM4ENPC1MAPTLMNAMEN1
SCHEMBL17083263 0.72 MAPT (0.41) KDM4ENPC1MAPTLMNAMEN1
SCHEMBL23303496 0.72 PTPRB (0.40) KDM4EALDH1A1NPC1MAPTLMNA
SCHEMBL23303492 0.72 PTPRB (0.40) KDM4EALDH1A1NPC1MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed