SCHEMBL8545504

SCHEMBL8545504

CCOC(=O)c1c(C)[nH]c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
ALDH1A1 P00352 8/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 3/20 0.54
PDE4D Q08499 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 5/20 0.49
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CASP1 P29466 1/20 0.48
BRCA1 P38398 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL62885 0.81 NPSR1 (0.50) HPGDALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL68410 0.80 SMN1; SMN2 (0.71) HPGDALDH1A1SMN1; SMN2KDM4EPDE4D
SCHEMBL11789541 0.79 SMN1; SMN2 (0.65) HPGDALDH1A1SMN1; SMN2KDM4EPDE4D
SCHEMBL1660818 0.77 PDE4D (0.52) HPGDALDH1A1SMN1; SMN2KDM4EPDE4D
SCHEMBL3017686 0.77 CYP1A2 (0.58) HPGDALDH1A1KDM4EPDE4DMAPK1
SCHEMBL12524814 0.75 PDE4D (0.59) HPGDALDH1A1SMN1; SMN2KDM4EPDE4D
SCHEMBL26601966 0.75 LMNA (0.56) HPGDALDH1A1SMN1; SMN2KDM4EPDE4D
SCHEMBL6024050 0.75 SMN1; SMN2 (0.69) HPGDALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL11652842 0.75 HPGD (0.72) HPGDALDH1A1SMN1; SMN2KDM4EPDE4D
SCHEMBL16961721 0.74 CYP1A2 (0.59) HPGDALDH1A1SMN1; SMN2MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
EP-0850228-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-07-01 EP disclosed
WO-1997009315-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed