SCHEMBL6681804

SCHEMBL6681804

CC(C)(C)OC(=O)N(Cc1cc(NC(N)=S)ccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 4/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP1A2 P05177 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NPY2R P49146 1/20 0.34
CXCR2 P25025 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
SCHEMBL6678474 0.89 ALDH1A1 (0.39) GRM2ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL6675695 0.89 ALDH1A1 (0.39) GRM2ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL6678436 0.88 ALDH1A1 (0.40) ALDH1A1GAAKMT2AHPGDMCHR1
SCHEMBL6682248 0.87 ALDH1A1 (0.40) GRM2ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL6676380 0.87 ALDH1A1 (0.37) GRM2ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL6676359 0.85 ALDH1A1 (0.36) GRM2ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL6676774 0.84 ALDH1A1 (0.35) GRM2ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL6679793 0.84 ALDH1A1 (0.35) GRM2ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL6675178 0.83 KDM4E (0.44) ALDH1A1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL7739635 0.83 ALDH1A1 (0.37) GRM2ALDH1A1GAAKMT2ASMN1; SMN2

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