SCHEMBL6089950

SCHEMBL6089950

COc1ccc2[nH]c(C=C3C(=O)NN=C3OC3CC3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 2/20 0.43
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AXL P30530 1/20 0.39
PDGFRB P09619 2/20 0.38
PDGFRA P16234 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
CA2 P00918 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
FLT3 P36888 2/20 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
SCHEMBL6089943 1.00 PRF1 (0.43) PRF1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6089363 0.86 PRF1 (0.44) PRF1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6089367 0.86 PRF1 (0.44) PRF1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6088702 0.84 PRF1 (0.44) PRF1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6088706 0.84 PRF1 (0.44) PRF1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6089207 0.84 PRF1 (0.42) PRF1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6089211 0.84 PRF1 (0.42) PRF1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6090235 0.83 SIRT1 (0.48) PRF1MAOBAKR1C3MAPT
SCHEMBL6090236 0.83 SIRT1 (0.48) PRF1MAOBAKR1C3MAPT
SCHEMBL6091554 0.79 PRF1 (0.41) PRF1KDM4EALDH1A1HPGDHSD17B10

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