SCHEMBL17844388

SCHEMBL17844388

COC(=O)c1ccc(OCCc2ccccc2N(C)C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TTR P02766 1/20 0.41
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MCHR1 Q99705 1/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NOTUM Q6P988 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL17844290 0.87 MAPT (0.48) THRATHRBACHEMCHR1RAB9A
SCHEMBL17844288 0.84 LNPEP (0.43) THRATHRBTTRL3MBTL1TDP1
SCHEMBL17844307 0.82 MAPT (0.47) THRATHRBACHEMCHR1MAPT
SCHEMBL5638975 0.77 THRA (0.59) THRATHRBTTRRAB9ALMNA
SCHEMBL25315062 0.76 MAPT (0.50) THRATHRBTTRL3MBTL1TDP1
SCHEMBL4841298 0.76 LMNA (0.47) THRATHRBTTRRAB9AMAPT
SCHEMBL29524525 0.76 RAB9A (0.47) THRATHRBTTRL3MBTL1TDP1
SCHEMBL15295180 0.76 PDE4D (0.53) THRATHRBTTRRAB9AMAPT
SCHEMBL25314928 0.76 RAB9A (0.47) THRATHRBTTRL3MBTL1TDP1
SCHEMBL16702181 0.76 SCN8A (0.47) L3MBTL1RAB9AKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed