SCHEMBL8649124

SCHEMBL8649124

C=Cc1cc(CNC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4A O75164 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
NR3C2 P08235 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10305752 0.87 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL31710727 0.83 ALOX5 (0.44) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL30313121 0.81 GAA (0.43) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL8664177 0.81 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL28566645 0.80 CACNA1H (0.46) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL1019102 0.78 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL372131 0.77 PPARG (0.51) MAPTALDH1A1L3MBTL1PPARGPPARA
SCHEMBL19853209 0.75 L3MBTL1 (0.51) MAPTSMN1; SMN2NPC1RAB9AKDM4A
SCHEMBL13055397 0.74 KDM4A (0.51) KDM4ATDP1L3MBTL1MEN1KMT2A
SCHEMBL18664385 0.74 HDAC1 (0.49) ALDH1A1L3MBTL1PPARGPPARANAMPT

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
US-5719152-A Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1998-02-17 US disclosed
EP-0627434-A1 Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-12-07 EP disclosed