SCHEMBL6676118

SCHEMBL6676118

CCN(C(N)=NC(=O)OC(C)(C)C)c1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.47
CA1 P00915 4/20 0.47
NAMPT P43490 1/20 0.42
PTGER4 P35408 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSK P43235 3/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
AOC3 Q16853 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESRRB O95718 1/20 0.37
ESRRG P62508 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL6677739 0.85 CA2 (0.45) CA2CA1NAMPTPTGER4MAPT
SCHEMBL6676265 0.85 CA2 (0.40) CA2CA1NAMPTPTGER4MAPT
SCHEMBL6687614 0.84 IDO1 (0.41) CA2CA1MAPTKDM4ENPC1
SCHEMBL6681075 0.84 NQO2 (0.39) CA2CA1MAPTKDM4ENPC1
SCHEMBL6675284 0.84 ESRRG (0.42) CA2CA1NAMPTPTGER4MAPT
SCHEMBL8771747 0.84 CA2 (0.39) CA2CA1NAMPTPTGER4MAPT
SCHEMBL8771555 0.83 IDO1 (0.39) CA2CA1MAPTKDM4ENPC1
SCHEMBL6682001 0.83 CA1 (0.41) CA2CA1NAMPTMAPTKMT2A
SCHEMBL6676958 0.78 KDM4E (0.36) CA2CA1MAPTKDM4ENPC1
SCHEMBL6679083 0.78 HDAC1 (0.47) NPC1RAB9ALMNA

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