SCHEMBL6680596

SCHEMBL6680596

CNC(=N)Nc1ccc(OC)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.40
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
NAMPT P43490 1/20 0.38
HIF1A Q16665 2/20 0.38
ROCK2 O75116 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL7244882 0.88 ALDH1A1 (0.44) ALDH1A1GAALMNAKMT2AIMPDH2
SCHEMBL7246439 0.86 ALDH1A1 (0.43) ALDH1A1GAALMNAKMT2AROCK2
SCHEMBL6675050 0.84 ALDH1A1 (0.45) ALDH1A1GAALMNAKMT2AIMPDH2
SCHEMBL7247258 0.83 ALDH1A1 (0.56) ALDH1A1GAALMNAKMT2AIMPDH2
SCHEMBL27389055 0.82 GAA (0.44) ALDH1A1GAALMNAKMT2ANAMPT
SCHEMBL6680600 0.81 ALDH1A1 (0.48) ALDH1A1GAALMNAKMT2AIMPDH2
SCHEMBL6678684 0.81 ALDH1A1 (0.43) ALDH1A1GAALMNAKMT2AIMPDH2
SCHEMBL6678686 0.78 ALDH1A1 (0.43) ALDH1A1GAALMNAKMT2AIMPDH2
SCHEMBL6679970 0.78 ALDH1A1 (0.45) ALDH1A1GAALMNAKMT2AIMPDH2
SCHEMBL3413974 0.77 ALDH1A1 (0.54) ALDH1A1GAALMNAKMT2AKDM4E

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