SCHEMBL6676215

SCHEMBL6676215

COc1ccc(N(S)C(N)=O)cc1C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PDE4B Q07343 5/20 0.33
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSL P07711 1/20 0.31
STING1 Q86WV6 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6678139 0.83 CYP2C9 (0.40) KDM4EALDH1A1LMNACYP2C9
SCHEMBL7247260 0.79 KDM4E (0.40) KDM4EALDH1A1GAAMTNR1AMTNR1B
SCHEMBL6686878 0.78 KDM4E (0.44) KDM4EALDH1A1GAAIMPDH2IMPDH1
SCHEMBL6679997 0.78 KDM4E (0.39) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL5039044 0.76 CYP1A2 (0.47) KDM4EALDH1A1GAAPDE4BLMNA
SCHEMBL7244827 0.75 NQO2 (0.43) GAAMTNR1AMTNR1BHTTDRD2
SCHEMBL6676211 0.75 ALDH1A1 (0.58) KDM4EALDH1A1GAAIMPDH2IMPDH1
SCHEMBL6679077 0.73 MTNR1A (0.38) KDM4EALDH1A1GAAMTNR1AMTNR1B
SCHEMBL6676169 0.72 PTPRB (0.36) KDM4EALDH1A1GAAKMT2ANPC1
SCHEMBL6675125 0.72 MEN1 (0.51) ALDH1A1GAAKMT2ALMNAHTT

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