SCHEMBL7530971

SCHEMBL7530971

CCOC(=O)c1ccc(-n2cc(Cc3cncnc3)c(=O)[nH]c2=S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 4/20 0.40
HSP90AA1 P07900 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
IDO1 P14902 1/20 0.38
PPARG P37231 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
SCHEMBL7009288 0.89 ALOX5 (0.41) ALDH1A1MAPTALOX15SMN1; SMN2PPARG
SCHEMBL7524218 0.88 ALDH1A1 (0.41) ALDH1A1MAPTGAAHPGDALOX15
SCHEMBL7007975 0.86 KMT2A (0.40) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL7010694 0.85 RECQL (0.42) ALDH1A1MAPTGAAHPGDALOX15
SCHEMBL7529761 0.82 PLA2G7 (0.41) ALDH1A1MAPTHSD17B10TSHRRAB9A
SCHEMBL7004505 0.80 PLA2G7 (0.38) MAPT
SCHEMBL7012920 0.78 PLA2G7 (0.44) GAAPOLBLMNA
SCHEMBL7011218 0.78 PLA2G7 (0.44) GAAPOLBLMNA
SCHEMBL7012186 0.77 PLA2G7 (0.35) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL7093582 0.76 KMT2A (0.42) ALDH1A1TDP1KMT2APOLBSMN1; SMN2

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-1175409-A1 PYRIMIDINONES DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
WO-2000068208-A1 PYRIMIDINONES DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2000-11-16 WO disclosed