SCHEMBL6091554

SCHEMBL6091554

COc1ccc2[nH]c(C=C3C(=O)NN=C3C3(C)CC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.41
KDR P35968 4/20 0.39
AURKA O14965 2/20 0.39
AXL P30530 2/20 0.39
PDGFRB P09619 4/20 0.38
PDGFRA P16234 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 3/20 0.37
NPC1 O15118 3/20 0.37
ALOX15 P16050 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
APAF1 O14727 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
SCHEMBL6091551 1.00 PRF1 (0.41) PRF1KDRAURKAAXLPDGFRB
SCHEMBL6092658 0.83 SIRT1 (0.51) PRF1MAOBMAPTMAPK1NPSR1
SCHEMBL6092653 0.83 SIRT1 (0.51) PRF1MAOBMAPTMAPK1NPSR1
SCHEMBL6089207 0.80 PRF1 (0.42) PRF1KDRAURKAAXLPDGFRB
SCHEMBL6089211 0.80 PRF1 (0.42) PRF1KDRAURKAAXLPDGFRB
SCHEMBL6089950 0.79 PRF1 (0.43) PRF1KDRAURKAAXLPDGFRB
SCHEMBL6089943 0.79 PRF1 (0.43) PRF1KDRAURKAAXLPDGFRB
SCHEMBL6089367 0.77 PRF1 (0.44) PRF1AXLPDGFRBPDGFRAKDM4E
SCHEMBL6088706 0.77 PRF1 (0.44) PRF1AXLPDGFRBPDGFRAKDM4E
SCHEMBL6089363 0.77 PRF1 (0.44) PRF1AXLPDGFRBPDGFRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed