SCHEMBL577407

SCHEMBL577407

Clc1cccc(Nc2ncc(-c3ccc(N4CC=CCC4)cc3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT7 Q9NRC8 1/20 0.55
DGAT1 O75907 3/20 0.54
VCP P55072 3/20 0.50
KDR P35968 6/20 0.46
FLT1 P17948 5/20 0.46
FLT4 P35916 5/20 0.46
CAMK2D Q13557 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
IMPDH2 P12268 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
SMG1 Q96Q15 1/20 0.40
LMNA P02545 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL180766 0.78 SIRT7 (0.65) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180970 0.74 DGAT1 (0.65) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180813 0.73 DGAT1 (0.79) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180836 0.72 DGAT1 (0.56) SIRT7DGAT1VCPKDRFLT1
SCHEMBL20260113 0.72 VCP (0.61) SIRT7VCPKDRFLT1FLT4
SCHEMBL180361 0.71 DGAT1 (0.81) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180949 0.71 SIRT7 (0.56) SIRT7DGAT1VCPKDRFLT1
SCHEMBL577406 0.71 SIRT7 (0.53) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180428 0.70 DGAT1 (1.00) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180759 0.70 DGAT1 (0.70) SIRT7DGAT1VCPKDRFLT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP disclosed