SCHEMBL6681893

SCHEMBL6681893

CC(C)(C)OC(=O)NCCc1ccc(N(S)C(N)=O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
NAMPT P43490 1/20 0.41
PTGER4 P35408 1/20 0.39
NQO2 P16083 1/20 0.39
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
GRM2 Q14416 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PARP1 P09874 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
SCHEMBL6676127 0.88 CA2 (0.44) CA2CA1NAMPTPTGER4NQO2
SCHEMBL6680718 0.87 CA2 (0.43) CA2CA1NAMPTPTGER4NQO2
SCHEMBL6675053 0.86 CA1 (0.46) CA2CA1NAMPTMAPT
SCHEMBL2876047 0.81 CA2 (0.51) CA2CA1NAMPTPTGER4NQO2
SCHEMBL6680633 0.80 CA2 (0.49) CA2CA1NAMPTPTGER4NQO2
SCHEMBL8771747 0.79 CA2 (0.39) CA2CA1NAMPTPTGER4NQO2
SCHEMBL6680795 0.78 NQO2 (0.43) CA2CA1NQO2MAPTGAA
SCHEMBL1128630 0.77 CA2 (0.49) CA2CA1NAMPTPTGER4NQO2
SCHEMBL3696922 0.77 NQO2 (0.47) CA2CA1NAMPTPTGER4NQO2
SCHEMBL6681889 0.76 KMT2A (0.47) CA2CA1NAMPTNQO2MAPT

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