SCHEMBL5000805

SCHEMBL5000805

CC(C)(C)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.65
CYP2C19 P33261 2/20 0.65
CYP3A4 P08684 1/20 0.65
KDM1A O60341 5/20 0.53
PTGS1 P23219 3/20 0.53
PTGS2 P35354 2/20 0.53
MAOA P21397 2/20 0.52
CHRM2 P08172 4/20 0.50
HTR1A P08908 4/20 0.50
ADRA2A P08913 4/20 0.50
CHRM1 P11229 4/20 0.50
DRD1 P21728 4/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
ADRA1A P35348 4/20 0.50
OPRM1 P35372 4/20 0.50
DRD3 P35462 4/20 0.50
KCNH2 Q12809 4/20 0.50
LMNA P02545 4/20 0.50
SLC22A1 O15245 3/20 0.50

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
SCHEMBL8019998 0.85 CYP2D6 (0.67) CYP2D6CYP2C19CYP3A4KDM1APTGS1
SCHEMBL29422798 0.83 CYP3A4 (0.43) CYP2D6CYP2C19CYP3A4KDM1APTGS1
SCHEMBL564939 0.83 CYP3A4 (0.43) CYP2D6CYP2C19CYP3A4KDM1APTGS1
SCHEMBL18550493 0.80 CYP2D6 (0.56) CYP2D6CYP2C19CYP3A4KDM1APTGS1
SCHEMBL29557425 0.77 KDM1A (0.61) CYP2D6CYP2C19CYP3A4KDM1APTGS1
SCHEMBL293951 0.77 KDM1A (0.61) CYP2D6CYP2C19CYP3A4KDM1APTGS1
SCHEMBL790773 0.74 CYP2D6 (0.57) CYP2D6CYP2C19CYP3A4KDM1APTGS1
SCHEMBL6494892 0.74 CYP2D6 (0.50) CYP2D6CYP2C19CYP3A4KDM1APTGS1
SCHEMBL12933361 0.74 TSHR (0.56) CYP2D6CYP2C19CYP3A4CHRM1LMNA
SCHEMBL12691840 0.74 CYP3A4 (0.37) CYP2D6CYP2C19CYP3A4ALDH1A1BCHE

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-1812822-B1 ELECTROCHROMIC MEDIA AND DEVICES GENTEX CORP (US) 2019-05-01 EP disclosed
CN-101069124-B Electrochromic compounds and related media and devices GENTEX CORP 2013-10-16 CN disclosed
US-7428091-B2 Electrochromic compounds and associated media and devices GENTEX CORPORATION (US) 2008-09-23 US disclosed
CN-101069124-A Electrochromic compounds and related media and devices GENTEX CORP (US) 2007-11-07 CN disclosed
US-20060103911-A1 Electrochromic compounds and associated media and devices GENTEX CORPORATION 2006-05-18 US disclosed