SCHEMBL6619765

SCHEMBL6619765

CC(C)(C)OC(=O)C1=C[N]N=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA1 P14867 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 3/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1854004 0.70
SCHEMBL1196354 0.68
SCHEMBL30356678 0.65 TP53 (0.33) MAPTTP53ALOX15HSD17B10ADRA1A
SCHEMBL7058435 0.63 CA12 (0.47) ALDH1A1LMNAALOX15HSD17B10CA12
SCHEMBL109451 0.63 CA1 (0.61) ALDH1A1ALOX15HSD17B10CA12CA1
SCHEMBL828580 0.63 EGFR (0.41) ALDH1A1MAPTTP53ALOX15HSD17B10
SCHEMBL8631743 0.63 CA12 (0.36) ALDH1A1LMNAMAPTTP53ALOX15
SCHEMBL13947269 0.61 TP53 (0.36) ALDH1A1MAPTTP53ALOX15HSD17B10
SCHEMBL21407345 0.61 APOBEC3A (0.39) ALDH1A1LMNAMAPTHPGD
SCHEMBL22645507 0.61 STK17B (0.40) ALDH1A1LMNACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed