SCHEMBL5336708

SCHEMBL5336708

Clc1ccc(-c2cnc(Nc3cnc4[nH]ncc4c3)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.57
SIRT7 Q9NRC8 1/20 0.56
KDR P35968 7/20 0.46
FLT1 P17948 6/20 0.46
FLT4 P35916 6/20 0.46
ALOX5 P09917 1/20 0.44
IMPDH2 P12268 3/20 0.44
DGAT1 O75907 1/20 0.42
ROCK1 Q13464 1/20 0.41
TRPV1 Q8NER1 2/20 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
SCHEMBL5316862 0.87 KDR (0.62) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5343891 0.85 VCP (0.58) VCPSIRT7KDRFLT1FLT4
SCHEMBL5339016 0.83 VCP (0.58) VCPSIRT7KDRFLT1FLT4
SCHEMBL5319561 0.80 FLT1 (0.56) VCPKDRFLT1FLT4ALOX5
SCHEMBL5318816 0.76 SIRT7 (0.51) VCPSIRT7KDRFLT1FLT4
SCHEMBL5338652 0.76 VCP (0.58) VCPSIRT7KDRFLT1FLT4
SCHEMBL5335613 0.76 CDC7 (0.58) VCPKDRFLT1FLT4ALOX5
SCHEMBL5319550 0.74 VCP (0.72) VCPSIRT7KDRFLT1FLT4
SCHEMBL5340647 0.74 KDR (0.54) VCPSIRT7KDRFLT4IMPDH2
SCHEMBL14466945 0.73 VCP (0.74) VCPSIRT7KDRFLT1FLT4

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