SCHEMBL6676282

SCHEMBL6676282

Cc1c(CNC(=O)OC(C)(C)C)cccc1NC(N)=S

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
HDAC1 Q13547 2/20 0.40
POLB P06746 1/20 0.40
KDM4A O75164 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NQO2 P16083 1/20 0.39
TSHR P16473 2/20 0.38
NAMPT P43490 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
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
SCHEMBL6679107 0.89 KCNA5 (0.46) KCNA5LMNAHPGDHDAC1POLB
SCHEMBL6679750 0.88 NQO2 (0.50) KCNA5LMNAHPGDPOLBMEN1
SCHEMBL6674712 0.81 ALDH1A1 (0.36) LMNAHPGDALOX12POLBGAA
SCHEMBL6679753 0.80 LMNA (0.36) LMNAHPGDALOX12POLBKMT2A
SCHEMBL6676878 0.79 KCNA5 (0.46) KCNA5HPGDRPS6KA1HDAC1POLB
SCHEMBL30344301 0.79 KCNA5 (0.47) KCNA5HPGDRPS6KA1POLBKDM4A
SCHEMBL31142897 0.77 RIPK1 (0.46) KCNA5RPS6KA1POLBKDM4AMEN1
SCHEMBL12680199 0.77 POLB (0.48) KCNA5LMNARPS6KA1POLBKDM4A
SCHEMBL8011513 0.77 RIPK1 (0.46) KCNA5RPS6KA1POLBKDM4AMEN1
SCHEMBL12680205 0.77 RPS6KA1 (0.49) KCNA5LMNAHPGDRPS6KA1POLB

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 5 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
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed