SCHEMBL5339016

SCHEMBL5339016

Clc1ccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.58
SIRT7 Q9NRC8 1/20 0.57
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
DYRK1A Q13627 2/20 0.49
MAP4K4 O95819 1/20 0.49
CLK2 P49760 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
NOS1 P29475 1/20 0.48
IMPDH2 P12268 4/20 0.47
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 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
SCHEMBL5343891 0.91 VCP (0.58) VCPSIRT7DYRK1AMAP4K4CLK2
SCHEMBL5333251 0.88 IMPDH2 (0.55) VCPSIRT7MAPTKDM4EALDH1A1
SCHEMBL14465936 0.88 IMPDH2 (0.61) VCPMAPTKDM4EGAAIMPDH2
SCHEMBL5345370 0.87 VCP (0.63) VCPSIRT7KMT2AMAPTKDM4E
SCHEMBL5342641 0.85 TRPV1 (0.61) IMPDH2EIF2AK2KDRFLT1FLT4
SCHEMBL5316737 0.85 IMPDH2 (0.55) VCPMAPTKDM4EALDH1A1IMPDH2
SCHEMBL5338645 0.83 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5336708 0.83 VCP (0.57) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5339083 0.82 VCP (0.63) VCPSIRT7MAPTALDH1A1IMPDH2
SCHEMBL5338255 0.81 IMPDH2 (0.57) VCPDYRK1ACLK4IMPDH2EIF2AK2

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