SCHEMBL16181822

SCHEMBL16181822

CNCc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.55
KDM4A O75164 1/20 0.49
BRD4 O60885 3/20 0.48
CREBBP Q92793 1/20 0.47
NAMPT P43490 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.45
CYP3A4 P08684 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
IDO1 P14902 1/20 0.44
CTSS P25774 2/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL27113182 0.89 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL13853709 0.88 GLS (0.53) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL13981921 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL1165088 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL8342682 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL30069429 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL12685839 0.87 L3MBTL1 (0.56) KDM4ANAMPTCA12CA1CA7
SCHEMBL5102152 0.87 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL851272 0.87 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL3346015 0.87 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170848-B1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2014-10-22 EP disclosed