SCHEMBL6678098

SCHEMBL6678098

CC(C)(C)OC(=O)N(Cc1cccc(NC(N)=S)c1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.39
REN P00797 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPK1 P28482 1/20 0.36
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6674712 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1
SCHEMBL6675971 0.85 CACNA1C (0.43) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6678270 0.85 LMNA (0.35) ALDH1A1KDM4EL3MBTL1
SCHEMBL27496002 0.82 GPR35 (0.41) GPR35MEN1KMT2AMAPK1ALDH1A1
SCHEMBL6676278 0.81 REN (0.37) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6675968 0.81 GPR35 (0.39) GPR35RENMEN1KMT2AMAPK1
SCHEMBL7242001 0.80 GPR35 (0.38) GPR35RENMEN1KMT2AMAPK1
SCHEMBL7242006 0.79 GPR35 (0.38) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6678436 0.79 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL6678068 0.78 REN (0.36) RENL3MBTL1

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