SCHEMBL7445501

SCHEMBL7445501

COC(=O)COc1c(OC)ccc2ccc(C#N)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
NCEH1 Q6PIU2 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
PDGFRB P09619 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE5A O76074 5/20 0.40
MMP3 P08254 1/20 0.39
GAK O14976 1/20 0.39
RIPK2 O43353 1/20 0.39
COQ8A Q8NI60 1/20 0.39
NLK Q9UBE8 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7340884 0.89 HPGD (0.53) PLAUMAPTUSP2HPGDMEN1
SCHEMBL7345019 0.88 PLAU (0.46) PLAUL3MBTL1NCEH1MAPTUSP2
SCHEMBL7337530 0.79 AR (0.46) NCEH1MAPTPDE5AGAKRIPK2
SCHEMBL7351841 0.77 MYB (0.45) PLAUMAPTHPGDTP53HSD17B10
Hydrochloric Acid SCHEMBL7343861 0.76 PLAU (0.59) PLAUL3MBTL1MAPK1NCEH1MAPT
SCHEMBL2327275 0.76 MRGPRX4 (0.53) NPC1TP53RAB9AHSD17B10MEN1
SCHEMBL16741023 0.75 LMNA (0.59) L3MBTL1MAPTMEN1ALDH1A1GAA
SCHEMBL31433068 0.74 GAA (0.49) MAPTUSP2HPGDNPC1TP53
SCHEMBL2855163 0.74 MEN1 (0.49) L3MBTL1MAPK1MAPTUSP2HPGD
SCHEMBL7720296 0.73 CA9 (0.46) MAPK1NCEH1MAPTUSP2PDE5A

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-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 WO disclosed