SCHEMBL5345370

SCHEMBL5345370

Clc1cccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.63
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
SIRT7 Q9NRC8 1/20 0.48
TGFBR1 P36897 1/20 0.47
TGFBR2 P37173 1/20 0.47
IMPDH2 P12268 4/20 0.47
KDR P35968 4/20 0.46
FLT1 P17948 3/20 0.46
FLT4 P35916 3/20 0.46
DGAT1 O75907 1/20 0.45
PIK3CA P42336 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL5317045 0.91 VCP (0.63) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5339016 0.87 VCP (0.58) VCPMAPTHTTALDH1A1THRB
SCHEMBL14465936 0.87 IMPDH2 (0.61) VCPMAPTIMPDH2KDRFLT1
SCHEMBL5338255 0.83 IMPDH2 (0.57) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5316813 0.81 MAPT (0.54) MAPTHTTALDH1A1THRBIMPDH2
SCHEMBL5333251 0.81 IMPDH2 (0.55) VCPMAPTHTTALDH1A1SIRT7
SCHEMBL5334372 0.78 KDR (0.59) VCPMAPTHTTALDH1A1IMPDH2
SCHEMBL5343891 0.78 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL14465941 0.78 IMPDH2 (0.61) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5337614 0.78 PIK3CA (0.54) VCPIMPDH2KDRFLT1FLT4

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