SCHEMBL5334965

SCHEMBL5334965

CCN(CC)c1ccc(-c2cnc(Nc3ccc4c(c3)OCC(=O)N4)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.57
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
KIF11 P52732 1/20 0.42
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
TNIK Q9UKE5 1/20 0.40
NSD2 O96028 4/20 0.39
SYK P43405 2/20 0.39
ROCK1 Q13464 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL5316958 0.84 VCP (0.52) VCPGABRG2GABRB3GABRA5KIF11
SCHEMBL5316750 0.84 KIF11 (0.48) GABRG2GABRB3GABRA5KIF11CYP11B1
SCHEMBL5318196 0.84 KDR (0.52) VCPGABRG2GABRB3GABRA5KIF11
SCHEMBL5341998 0.81 PKM (0.47) GABRG2GABRB3GABRA5KIF11FLT1
SCHEMBL5338297 0.80 SYK (0.54) VCPGABRG2GABRB3GABRA5KIF11
SCHEMBL14465950 0.80 KIF11 (0.48) GABRG2GABRB3GABRA5KIF11KDR
SCHEMBL5339083 0.77 VCP (0.63) VCPFLT1FLT4KDRMAPT
SCHEMBL14466984 0.77 VCP (0.63) VCPFLT1FLT4KDRTNIK
SCHEMBL5319534 0.77 VCP (0.52) VCPSYKPOLBMAPT
SCHEMBL5339461 0.76 KDR (0.52) VCPFLT1FLT4KDRSYK

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 3 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
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed