SCHEMBL6676958

SCHEMBL6676958

CCN(C(N)=NC(=O)OC(C)(C)C)c1ccc(O)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 4/20 0.35
HDAC1 Q13547 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
KDM4A O75164 1/20 0.34
HPN P05981 1/20 0.34
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
KCNA5 P22460 1/20 0.32
NQO2 P16083 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 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
SCHEMBL6678687 0.88 KDM4E (0.38) KDM4ENPC1MAPTRAB9AKDM4A
SCHEMBL6674836 0.87 KDM4E (0.34) KDM4ENPC1MAPTRAB9AKDM4A
SCHEMBL6680479 0.82 CYP2C9 (0.39) HDAC1
SCHEMBL6687614 0.79 IDO1 (0.41) KDM4ENPC1MAPTRAB9ACA1
SCHEMBL6681075 0.79 NQO2 (0.39) KDM4ENPC1MAPTRAB9ACA1
SCHEMBL8771555 0.79 IDO1 (0.39) KDM4ENPC1MAPTRAB9ACA1
SCHEMBL6676118 0.78 CA2 (0.47) KDM4ENPC1MAPTRAB9ACA1
SCHEMBL6675986 0.77 GRM2 (0.32) KDM4ENPC1MAPTRAB9A
SCHEMBL6675872 0.76 KCNA5 (0.35) KDM4ENPC1MAPTRAB9AKDM4A
SCHEMBL6679944 0.76 GRM2 (0.32) KDM4ENPC1MAPTRAB9A

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 2 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
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed