SCHEMBL16551002

SCHEMBL16551002

COc1cc(S)cc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.67
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ABCB1 P08183 2/20 0.50
APP P05067 1/20 0.49
ALOX5 P09917 1/20 0.47
BCHE P06276 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
PDGFRB P09619 1/20 0.46

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
SCHEMBL23906959 0.91 MAOB (0.79) MAOBMEN1KMT2AABCB1APP
SCHEMBL22964320 0.85 MAOB (0.53) MAOBMEN1KMT2AALOX5LMNA
SCHEMBL5791635 0.84 MAOB (0.69) MAOBMEN1KMT2AABCB1APP
SCHEMBL31644032 0.84 MAOB (0.69) MAOBMEN1KMT2AABCB1APP
SCHEMBL21477256 0.83 MAOB (0.67) MAOBAPP
SCHEMBL4852115 0.83 MAOB (0.67) MAOBMEN1KMT2AABCB1APP
SCHEMBL13703986 0.83 MAOB (0.67) MAOBMEN1KMT2AABCB1APP
SCHEMBL16551263 0.83 MAOB (0.67) MAOBMEN1KMT2AABCB1APP
SCHEMBL7743406 0.83 MAOB (0.67) MAOBMEN1KMT2AABCB1APP
SCHEMBL21582181 0.81 MAOB (0.65) MAOBMEN1KMT2AABCB1APP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516445-B1 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON INC (US) 2015-03-11 EP disclosed