SCHEMBL5340632

SCHEMBL5340632

Clc1ccc(-c2cnc(Nc3ccc4[nH]nnc4c3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.58
SIRT7 Q9NRC8 1/20 0.57
IMPDH2 P12268 5/20 0.46
KDR P35968 7/20 0.44
FLT1 P17948 6/20 0.44
FLT4 P35916 6/20 0.44
DGAT1 O75907 1/20 0.43
QPCT Q16769 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALOX5 P09917 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
SCHEMBL5319636 0.88 IMPDH2 (0.60) VCPIMPDH2KDRFLT1FLT4
SCHEMBL14466946 0.83 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5338884 0.81 FLT1 (0.59) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5343891 0.81 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL14466048 0.79 SIRT7 (0.61) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5339016 0.79 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL5338652 0.79 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL14466077 0.79 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL14465951 0.79 FLT1 (0.48) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5336021 0.78 VCP (0.55) 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