SCHEMBL7865700

SCHEMBL7865700

CC(=N)NCc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.58
KDM4A O75164 1/20 0.47
BRD4 O60885 3/20 0.47
CREBBP Q92793 1/20 0.46
IDO1 P14902 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
NAMPT P43490 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NQO2 P16083 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL8342682 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL10208317 0.87 GLS (0.57) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL694491 0.86 GLS (0.56) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL13981921 0.85 GLS (0.55) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL16181822 0.85 GLS (0.55) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL1165088 0.85 GLS (0.55) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL30069429 0.85 GLS (0.55) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL5102152 0.84 GLS (0.54) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL3346015 0.84 GLS (0.54) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL184953 0.84 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT

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