SCHEMBL6675899

SCHEMBL6675899

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
HIF1A Q16665 1/20 0.36
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
REN P00797 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
HPGD P15428 1/20 0.33
QPCT Q16769 1/20 0.33
GLA P06280 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
SCHEMBL6678687 0.82 KDM4E (0.38) KDM4EHIF1AGAAALDH1A1RAB9A
SCHEMBL6681092 0.79 ALDH1A1 (0.42) KDM4EHIF1AGAAALDH1A1MAPT
SCHEMBL6679997 0.79 KDM4E (0.39) KDM4EGAAALDH1A1RAB9AKMT2A
SCHEMBL8771555 0.78 IDO1 (0.39) KDM4EGAARAB9ANPC1MAPT
SCHEMBL6674836 0.77 KDM4E (0.34) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL6681940 0.77 PKM (0.35) KDM4EHIF1AGAAALDH1A1MAPT
SCHEMBL6679126 0.74 KDM4E (0.41) KDM4EGAAALDH1A1RAB9AAAK1
SCHEMBL6680549 0.74 HDAC8 (0.40) KDM4EGAAALDH1A1RAB9ANPC1
SCHEMBL6675896 0.74 ALDH1A1 (0.41) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL6676958 0.73 KDM4E (0.36) KDM4ERAB9ANPC1MAPT

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