SCHEMBL7865716

SCHEMBL7865716

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.49
BRD4 O60885 3/20 0.43
CREBBP Q92793 1/20 0.43
BRD9 Q9H8M2 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
KDM4A O75164 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SYK P43405 1/20 0.41
GRM2 Q14416 1/20 0.40
IDO1 P14902 1/20 0.40
NAMPT P43490 2/20 0.39
CTSK P43235 1/20 0.39
HDAC1 Q13547 1/20 0.39
NQO2 P16083 1/20 0.38

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
SCHEMBL23413688 0.88 GLS (0.46) GLSBRD4CREBBPKDM4ASLC7A5
SCHEMBL7873178 0.86 GLS (0.46) GLSBRD4CREBBPKDM4ASYK
SCHEMBL13715120 0.83 GLS (0.46) GLSBRD4CREBBPKDM4ASLC7A5
SCHEMBL12318659 0.82 GLS (0.49) GLSBRD4CREBBPKDM4ASYK
SCHEMBL21089822 0.81 GLS (0.48) GLSBRD4CREBBPKDM4ASYK
SCHEMBL28637112 0.81 GLS (0.48) GLSBRD4CREBBPKDM4ASYK
SCHEMBL7865700 0.81 GLS (0.58) GLSBRD4CREBBPBRD9BAZ2B
SCHEMBL14898071 0.80 GLS (0.48) GLSBRD4CREBBPKDM4ASYK
SCHEMBL27779357 0.80 GLS (0.47) GLSBRD4CREBBPKDM4ASYK
SCHEMBL10208317 0.80 GLS (0.57) GLSBRD4CREBBPKDM4AGRM2

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