SCHEMBL6675865

SCHEMBL6675865

CC/N=C(/NC(=O)OC(C)(C)C)Nc1cccc(CNC(=O)OC(C)(C)C)c1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HDAC1 Q13547 2/20 0.35
KDM4A O75164 1/20 0.34
NQO2 P16083 1/20 0.34
GLS O94925 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NAMPT P43490 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
PARP1 P09874 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 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
SCHEMBL6675871 0.83 KCNA5 (0.36) KCNA5LMNAPOLBHDAC1KDM4A
SCHEMBL6677507 0.79 ALDH1A1 (0.34) LMNAPOLBNQO2CA1CA2
SCHEMBL7247902 0.78 NQO2 (0.46) KCNA5LMNAPOLBNQO2CA1
SCHEMBL6680966 0.78 ALDH1A1 (0.36) LMNAPOLBGLSNR1H4CACNA1C
SCHEMBL6680738 0.75 NR1H4 (0.33) LMNAPOLBNQO2GLSCA1
SCHEMBL6676955 0.74 EGFR (0.43) HDAC1KDM4ACA1CA2NAMPT
SCHEMBL6678684 0.72 ALDH1A1 (0.43) LMNANAMPTNR1H4PTPN11
SCHEMBL6674829 0.71 PTPN1 (0.38) LMNAKDM4ANAMPTNR1H4PTPN11
SCHEMBL6674887 0.70 NPC1 (0.43) KCNA5POLBKDM4ANQO2
SCHEMBL8235396 0.70 KCNA5 (0.50) KCNA5LMNAPOLBHDAC1KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed