SCHEMBL5325946

SCHEMBL5325946

O=C1NN=Cc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
AKR1B1 P15121 1/20 0.35
PDK2 Q15119 2/20 0.34
PDK4 Q16654 1/20 0.34
PDE7A Q13946 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PDGFRA P16234 1/20 0.32
FER P16591 1/20 0.32
LTK P29376 1/20 0.32
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL8102711 0.76 MAPT (0.41) MAPTGAAKDM4ENPC1MEN1
SCHEMBL5816754 0.68 MAPT (0.47) MAPTGAAMAOAMAOBPDGFRA
SCHEMBL5816758 0.68 MAPT (0.47) MAPTGAAMAOAMAOBPDGFRA
SCHEMBL2973450 0.68 MAPT (0.46) MAPTGAACA12CA1CA2
SCHEMBL14559393 0.67 ACVR1 (0.52) MAPTGAACA12CA1CA2
SCHEMBL8780 0.67 GAA (0.34) MAPTGAAMAOAMAOBPDGFRA
SCHEMBL2514034 0.67 GAA (0.40) MAPTGAAPDK2MAOAMAOB
SCHEMBL613060 0.67 GABRA1 (0.44) MAPTGAAPDK2AHRNPC1
SCHEMBL29469208 0.66 GAA (0.37) MAPTGAAMAOATDP1CYP1A2
SCHEMBL10912203 0.66 GAA (0.37) MAPTGAAMAOATDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed
EP-0645378-B1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-23 EP disclosed
US-5698691-A ANTICHOLESTEROL AGENT; SYNTHETASE INHIBITOR; FUNGICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-16 US disclosed
EP-0645378-A1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors Takeda Chemical Industries, Ltd. (JP) 1995-03-29 EP disclosed