SCHEMBL6669896

SCHEMBL6669896

CC(C)(C)c1nc2ccccc2c(O)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.41
PDE10A Q9Y233 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ERN1 O75460 1/20 0.41
RIPK2 O43353 1/20 0.40
GRM2 Q14416 8/20 0.40
ELANE P08246 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL11201745 0.85 GRM2 (0.42) DHODHPDE10AGRM2ELANE
SCHEMBL30713425 0.79 DHODH (0.46) DHODHPDE10ATP53HSD17B10ERN1
SCHEMBL8124347 0.76 GRM2 (0.48) DHODHPDE10ATP53HSD17B10ERN1
SCHEMBL3226084 0.76 DHODH (0.44) DHODHPDE10ATP53HSD17B10ERN1
SCHEMBL61597 0.73 HSD17B10 (0.52) DHODHPDE10ATP53HSD17B10GRM2
SCHEMBL30148539 0.73 HSD17B10 (0.52) DHODHPDE10ATP53HSD17B10GRM2
SCHEMBL394890 0.72 DHODH (0.50) DHODHPDE10AHSD17B10ELANEMEN1
Hydrochloric Acid SCHEMBL11375365 0.71 DHODH (0.49) DHODHPDE10AHSD17B10ELANEMEN1
SCHEMBL11375363 0.71 GAA (0.46) DHODHPDE10AERN1ELANEMEN1
SCHEMBL1332157 0.70 MAP2K3 (0.50) DHODHPDE10AHSD17B10GRM2ELANE

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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed