SCHEMBL5318330

SCHEMBL5318330

COc1ccc(OC)c(-c2cnc(Nc3ccc4[nH]c(=O)oc4c3)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 8/20 0.48
VCP P55072 2/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
KDR P35968 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
JAK3 P52333 3/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL5319664 0.84 FLT1 (0.57) IMPDH2VCPFLT1FLT4KDR
SCHEMBL5316768 0.84 FLT1 (0.54) IMPDH2VCPFLT1FLT4KDR
SCHEMBL5319120 0.83 VCP (0.62) IMPDH2VCPFLT1FLT4KDR
SCHEMBL14466043 0.76 IMPDH2 (0.53) IMPDH2VCPFLT1FLT4KDR
SCHEMBL5316815 0.76 KDR (0.57) IMPDH2VCPFLT1FLT4KDR
SCHEMBL5319083 0.75 GRIA1 (0.43) IMPDH2FLT1FLT4KDRSMN1; SMN2
SCHEMBL5318423 0.74 VCP (0.56) IMPDH2VCPFLT1FLT4KDR
SCHEMBL5321701 0.74 ALOX5 (0.52) IMPDH2VCPFLT1FLT4KDR
SCHEMBL1736665 0.73 JAK1 (0.52) SMN1; SMN2JAK2JAK1JAK3MEN1
SCHEMBL14465953 0.72 FLT1 (0.58) IMPDH2VCPFLT1FLT4KDR

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