SCHEMBL8650237

SCHEMBL8650237

CCOC(=O)C(CCc1cc(CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PTPN1 P18031 1/20 0.36
NAMPT P43490 1/20 0.36
GRM2 Q14416 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
SCHEMBL8652773 0.84 TSHR (0.41) L3MBTL1MAPTSMN1; SMN2TSHRRECQL
SCHEMBL8650394 0.82 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL8651290 0.81 PTPN1 (0.41) L3MBTL1MAPTSMN1; SMN2LMNANPC1
SCHEMBL8650989 0.79 PTPN1 (0.40) L3MBTL1MAPTSMN1; SMN2LMNATDP1
SCHEMBL7551652 0.78 PDGFRB (0.46) L3MBTL1SMN1; SMN2LMNATDP1TSHR
SCHEMBL8649477 0.77 L3MBTL1 (0.49) L3MBTL1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL30290947 0.77 DTYMK (0.44) L3MBTL1KMT2ANAMPTGRM2CYP2C19
SCHEMBL474165 0.77 DTYMK (0.44) L3MBTL1KMT2ANAMPTGRM2CYP2C19
SCHEMBL135312 0.76 KMT2A (0.47) L3MBTL1TDP1KMT2ATSHRNAMPT
SCHEMBL31305194 0.76 KMT2A (0.47) L3MBTL1TDP1KMT2ATSHRNAMPT

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