SCHEMBL5338294

SCHEMBL5338294

COc1cc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)ccc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.47
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
RET P07949 1/20 0.43
VCP P55072 1/20 0.42
ROCK2 O75116 2/20 0.42
EGFR P00533 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKG1 Q13976 1/20 0.41

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
SCHEMBL5341664 0.94 MAOB (0.47) MAOBFLT1FLT4KDRRET
SCHEMBL5334622 0.92 VCP (0.49) MAOBFLT1FLT4KDRRET
SCHEMBL14465935 0.90 FLT1 (0.55) MAOBFLT1FLT4KDRRET
SCHEMBL5339024 0.89 MAOB (0.47) MAOBFLT1FLT4KDRRET
SCHEMBL5340105 0.87 FLT1 (0.55) MAOBFLT1FLT4KDRRET
SCHEMBL5335573 0.85 MAOB (0.47) MAOBFLT1FLT4KDRRET
SCHEMBL5340827 0.85 FLT1 (0.48) MAOBFLT1FLT4KDRRET
SCHEMBL5344443 0.84 KDR (0.59) MAOBFLT1FLT4KDRRET
SCHEMBL5334189 0.84 FLT1 (0.52) MAOBFLT1FLT4KDRRET
SCHEMBL5342613 0.84 VCP (0.50) MAOBFLT1FLT4KDRRET

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
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO claimed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed