SCHEMBL5338645

SCHEMBL5338645

Clc1ccc(-c2cnc(Nc3ccc4cc[nH]c4c3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.58
SIRT7 Q9NRC8 1/20 0.57
IMPDH2 P12268 5/20 0.47
ESR1 P03372 1/20 0.45
KDR P35968 4/20 0.44
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
SYK P43405 1/20 0.44
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
DGAT1 O75907 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL5338652 0.91 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5319980 0.88 IMPDH2 (0.61) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5339016 0.83 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5350514 0.81 FLT1 (0.59) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5343891 0.79 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL14466946 0.79 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL14466077 0.79 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5318136 0.78 IMPDH2 (0.61) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5340632 0.76 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL14466048 0.74 SIRT7 (0.61) VCPSIRT7IMPDH2KDRFLT1

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