SCHEMBL5347622

SCHEMBL5347622

C=C(C)C(=O)OCCCc1cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.33
ALOX5 P09917 1/20 0.32
GAA P10253 2/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
LMNA P02545 1/20 0.31
WNT3 P56703 1/20 0.30
SFRP1 Q8N474 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL3880166 0.89 GAA (0.36) GAAMAOBMAOAMEN1KMT2A
SCHEMBL29716387 0.89 GAA (0.36) GAAMAOBMAOAMEN1KMT2A
SCHEMBL14213069 0.86 NPC1 (0.34) GAALMNA
SCHEMBL8039851 0.86 MAOB (0.32) GAAMAOBMAOA
SCHEMBL6862719 0.85 POLB (0.36) GAAMAOBMAOACNR2MEN1
SCHEMBL5834070 0.85 CNR2 (0.35) GAAMAOBMAOACNR2MEN1
SCHEMBL12128112 0.85 GAA (0.33) GAA
SCHEMBL227535 0.85 GAA (0.33) GAAMAOBMAOALMNA
SCHEMBL29370220 0.85 GAA (0.33) GAAMAOBMAOALMNA
SCHEMBL12231778 0.84 TNKS2 (0.34) GAAAKR1B10AKR1B1LMNA

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-1620500-B1 PHOTO-CURED AND STABILIZED COATINGS BASF SE (DE) 2012-07-11 EP disclosed
US-7173071-B2 Photo-cured and stabilized coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-02-06 US disclosed
EP-1620500-A1 PHOTO-CURED AND STABILIZED COATINGS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
US-20040235975-A1 Photo-cured and stabilized coatings CIBA SPECIALTY CHEMICALS CORP. 2004-11-25 US disclosed
WO-2004099302-A1 PHOTO-CURED AND STABILIZED COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed