SCHEMBL6674498

SCHEMBL6674498

CC(C)(C)OC(=O)NCCc1ccccc1NC(=N)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.53
IDO1 P14902 5/20 0.45
NAMPT P43490 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41

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
SCHEMBL6676208 0.77 CA2 (0.49) NQO2IDO1NAMPTLMNAPOLB
SCHEMBL6680495 0.76 NQO2 (0.47) NQO2IDO1NAMPTMALT1LMNA
SCHEMBL6033875 0.75 NQO2 (0.55) NQO2IDO1NAMPTMALT1LMNA
SCHEMBL4381773 0.74 NQO2 (0.61) NQO2IDO1NAMPTMALT1LMNA
SCHEMBL21680877 0.74 NQO2 (0.57) NQO2IDO1NAMPTMALT1LMNA
SCHEMBL5757395 0.74 POLB (0.47) LMNAPOLBTSHR
SCHEMBL5670782 0.74 MTNR1A (0.51) NQO2IDO1LMNAMEN1TSHR
SCHEMBL1579453 0.74 NQO2 (0.75) NQO2
SCHEMBL30898244 0.73 NQO2 (0.57) NQO2IDO1NAMPTMALT1LMNA
SCHEMBL29242665 0.73 NQO2 (0.54) NQO2IDO1NAMPTMALT1LMNA

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