SCHEMBL6675871

SCHEMBL6675871

CCNC(=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 0.34
POLB P06746 1/20 0.34
HDAC1 Q13547 2/20 0.34
KDM4A O75164 1/20 0.34
NQO2 P16083 1/20 0.34
NAMPT P43490 2/20 0.33
RPS6KA1 Q15418 1/20 0.33
PARP1 P09874 1/20 0.32
L3MBTL1 Q9Y468 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
SKP2 Q13309 1/20 0.32
DRD2 P14416 1/20 0.31
GLS O94925 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31

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
SCHEMBL6675865 0.83 KCNA5 (0.36) KCNA5LMNAPOLBHDAC1KDM4A
SCHEMBL6677510 0.78 LMNA (0.33) LMNAPOLB
SCHEMBL7247906 0.77 LMNA (0.34) LMNAPOLBGLS
SCHEMBL6675872 0.75 KCNA5 (0.35) KCNA5POLBKDM4ANQO2NAMPT
SCHEMBL6676957 0.74 EGFR (0.43) HDAC1KDM4ANAMPT
SCHEMBL6680745 0.74 GAA (0.33) LMNAPOLBL3MBTL1
SCHEMBL6678686 0.73 ALDH1A1 (0.43) LMNANAMPT
SCHEMBL6674831 0.72 PTPN1 (0.39) NAMPT
SCHEMBL6680475 0.70 CYP2C9 (0.42) LMNAHDAC1NAMPT
SCHEMBL6674887 0.70 NPC1 (0.43) KCNA5POLBKDM4ANQO2

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