SCHEMBL1847477

SCHEMBL1847477

O=C(NC(=O)C1(c2ccccc2)CCNCC1)c1cc(-c2ccc(S(=O)(=O)CCCCO)cc2)c(-c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
ROCK2 O75116 1/20 0.33
HSD11B1 P28845 1/20 0.32
DAGLA Q9Y4D2 2/20 0.32
DAGLB Q8NCG7 1/20 0.32
EP300 Q09472 4/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TACR1 P25103 1/20 0.32
HDAC1 Q13547 1/20 0.32
RORC P51449 2/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL1847878 0.92 TACR1 (0.35) EPHX2ROCK2HSD11B1DAGLADAGLB
SCHEMBL1847448 0.86 LMNA (0.34) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1848054 0.86 PRKAB2 (0.38) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1850509 0.85 HDAC1 (0.38) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1852052 0.81 EP300 (0.39) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1846542 0.81 EP300 (0.35) EPHX2DAGLAEP300BCL2L1MCL1
SCHEMBL1848627 0.80 ROCK2 (0.38) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1847877 0.79 EP300 (0.37) EPHX2ROCK2EP300BCL2L1MCL1
SCHEMBL1846309 0.79 EP300 (0.38) ROCK2EP300TACR1HDAC1
SCHEMBL1847475 0.79 CNR1 (0.43) TACR1CNR1

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-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 WO disclosed