SCHEMBL2497545

SCHEMBL2497545

CC(C(=O)O)c1cccc2[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
CXCL8 P10145 1/20 0.38
PRMT5 O14744 1/20 0.37
PTGS2 P35354 1/20 0.37
BRD4 O60885 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL2820806 0.86 PARP1 (0.56) PARP1CXCL8BRD4
SCHEMBL16740636 0.80 PARP1 (0.43) PARP1PRMT5
SCHEMBL7856459 0.80 PARP1 (0.47) PARP1PRMT5BRD4
SCHEMBL2611049 0.80 PARP1 (0.46) PARP1BRD4
SCHEMBL19100361 0.77 MAPT (0.38) PTGS2
SCHEMBL24351926 0.77 PARP1 (0.44) PARP1BRD4
SCHEMBL2497541 0.76 CXCL8 (0.39) PARP1CXCL8PTGS2
SCHEMBL2817256 0.75 PARP1 (0.54) PARP1BRD4
SCHEMBL2127998 0.74 PARP1 (0.41) PARP1BRD4
SCHEMBL18713659 0.74 TSHR (0.42) PARP1BRD4

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-2373628-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-10-12 EP disclosed
WO-2010070021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 WO disclosed