SCHEMBL6676774

SCHEMBL6676774

CC(=O)N(C)c1ccc(NC(N)=S)cc1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.33
MCHR1 Q99705 1/20 0.33
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.32
FSCN1 Q16658 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 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
SCHEMBL6682248 0.90 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL6679793 0.87 ALDH1A1 (0.35) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL6675695 0.85 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL6678474 0.85 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL6678436 0.84 ALDH1A1 (0.40) ALDH1A1GAAKMT2AMCHR1HPGD
SCHEMBL6681804 0.84 GRM2 (0.38) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL27544112 0.84 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL6676380 0.83 ALDH1A1 (0.37) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL6676359 0.81 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL6676234 0.81 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AHTTALOX12

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