SCHEMBL7873178

SCHEMBL7873178

COCC(=N)C(N)c1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.46
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 3/20 0.39
CREBBP Q92793 1/20 0.39
NAMPT P43490 2/20 0.39
KDM4A O75164 1/20 0.38
HDAC1 Q13547 2/20 0.38
SYK P43405 1/20 0.38
GRM2 Q14416 1/20 0.38
IDO1 P14902 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL7865716 0.86 GLS (0.49) GLSBRD4CREBBPNAMPTKDM4A
SCHEMBL23413688 0.84 GLS (0.46) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL13715120 0.79 GLS (0.46) GLSL3MBTL1BRD4CREBBPNAMPT
SCHEMBL12318659 0.79 GLS (0.49) GLSL3MBTL1BRD4CREBBPNAMPT
SCHEMBL21089822 0.78 GLS (0.48) GLSL3MBTL1BRD4CREBBPNAMPT
SCHEMBL28637112 0.78 GLS (0.48) GLSL3MBTL1BRD4CREBBPNAMPT
SCHEMBL27779357 0.77 GLS (0.47) GLSL3MBTL1BRD4CREBBPNAMPT
SCHEMBL14898071 0.77 GLS (0.48) GLSL3MBTL1BRD4CREBBPNAMPT
SCHEMBL10208317 0.76 GLS (0.57) GLSL3MBTL1BRD4CREBBPNAMPT
SCHEMBL5264017 0.75 GLS (0.51) GLSBRD4CREBBPNAMPTKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed