SCHEMBL8650394

SCHEMBL8650394

CC(C)(C)OC(=O)NCc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
GRM2 Q14416 1/20 0.41
PTPN1 P18031 1/20 0.41
NAMPT P43490 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
KDM4A O75164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GLS O94925 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7551652 0.88 PDGFRB (0.46) L3MBTL1PTPN1NAMPTNPC1RAB9A
SCHEMBL8651290 0.86 PTPN1 (0.41) L3MBTL1PTPN1NAMPTNPC1RAB9A
SCHEMBL8650989 0.84 PTPN1 (0.40) L3MBTL1PTPN1NAMPTNPC1RAB9A
SCHEMBL30290947 0.84 DTYMK (0.44) L3MBTL1GRM2NAMPTCA1CA2
SCHEMBL474165 0.84 DTYMK (0.44) L3MBTL1GRM2NAMPTCA1CA2
SCHEMBL5718757 0.84 ALDH1A1 (0.47) MEN1KMT2AHPGD
SCHEMBL135312 0.83 KMT2A (0.47) L3MBTL1NAMPTCA1CA2HDAC1
SCHEMBL31305194 0.83 KMT2A (0.47) L3MBTL1NAMPTCA1CA2HDAC1
SCHEMBL8652880 0.83 ALDH1A1 (0.41) L3MBTL1GRM2NAMPTNPC1RAB9A
SCHEMBL27840007 0.83 L3MBTL1 (0.48) L3MBTL1GRM2NAMPTCA1CA2

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