SCHEMBL7362268

SCHEMBL7362268

COC(=O)c1ccc(C(=O)N(N)C(=O)OC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPK1 P28482 4/20 0.44
ATM Q13315 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ALDH1A1 P00352 5/20 0.35
OPRD1 P41143 1/20 0.33
KDM4E B2RXH2 5/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
GLA P06280 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL6501523 0.88 DAO (0.40) HPGDALDH1A1KDM4EGAAHDAC3
SCHEMBL277557 0.84 HPGD (0.46) HPGDL3MBTL1MAPK1ATMNPSR1
SCHEMBL13812359 0.80 HPGD (0.44) HPGDL3MBTL1MAPK1ATMNPSR1
SCHEMBL28211212 0.75 HPGD (0.46) HPGDL3MBTL1MAPK1ATMNPSR1
SCHEMBL70027 0.74 NPSR1 (0.67) HPGDL3MBTL1MAPK1ATMNPSR1
SCHEMBL1587411 0.73 NPSR1 (0.53) HPGDL3MBTL1MAPK1ATMNPSR1
SCHEMBL24716783 0.72 HPGD (0.43) HPGDL3MBTL1MAPK1ATMNPSR1
SCHEMBL2847199 0.72 HPGD (0.46) HPGDL3MBTL1MAPK1ATMNPSR1
SCHEMBL8549434 0.72 TSHR (0.44) HPGDL3MBTL1MAPK1ATMNPSR1
SCHEMBL7979113 0.71 HPGD (0.42) HPGDL3MBTL1MAPK1ATMNPSR1

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-1091952-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC (CA) 2001-04-18 EP disclosed
WO-2000000486-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC. (US) 2000-01-06 WO disclosed