SCHEMBL382440

SCHEMBL382440

CC(C)(C)N(C(=O)O)C(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.38
ACP3 P15309 1/20 0.38
CNR2 P34972 2/20 0.38
RAB9A P51151 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
MAPT P10636 1/20 0.35
KAT6A Q92794 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H3 Q13133 1/20 0.34
ESR1 P03372 1/20 0.34
NR1I2 O75469 1/20 0.34

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
SCHEMBL19244871 0.82 MMP1 (0.37) HSD11B1MMP1MMP2MMP9MMP8
SCHEMBL382615 0.79 MEN1 (0.38) HSD11B1MMP1MMP2MMP9MMP8
SCHEMBL381808 0.77 ACP3 (0.43) HSD11B1ACP3MMP1MMP2MMP9
SCHEMBL19244870 0.76 CNR2 (0.40) HSD11B1ACP3CNR2RAB9AMEN1
SCHEMBL382428 0.75 ACP3 (0.43) ACP3CNR2RAB9AMEN1ALDH1A1
SCHEMBL167206 0.74 CNR2 (0.42) HSD11B1ACP3CNR2ALDH1A1
SCHEMBL17533972 0.74 CA12 (0.38) HSD11B1MMP2MEN1KMT2A
SCHEMBL382042 0.73 CNR2 (0.40) HSD11B1ACP3CNR2RAB9AMEN1
SCHEMBL380984 0.73 CNR2 (0.41) ACP3CNR2ALDH1A1
SCHEMBL19244866 0.73 CNR2 (0.41) HSD11B1ACP3CNR2MEN1ALDH1A1

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-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed