SCHEMBL1847878

SCHEMBL1847878

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.35
EPHX2 P34913 1/20 0.32
EP300 Q09472 3/20 0.32
CNR1 P21554 1/20 0.32
DAGLA Q9Y4D2 3/20 0.32
ROCK2 O75116 1/20 0.32
ORAI1 Q96D31 1/20 0.32
DAGLB Q8NCG7 2/20 0.31
HSD11B1 P28845 1/20 0.31
IDH2 P48735 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HDAC1 Q13547 1/20 0.31
RORC P51449 1/20 0.30
BCL2L1 Q07817 1/20 0.30
MCL1 Q07820 1/20 0.30
MAPT P10636 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
SCHEMBL1847477 0.92 EPHX2 (0.33) TACR1EPHX2EP300CNR1DAGLA
SCHEMBL1850509 0.83 HDAC1 (0.38) TACR1EPHX2EP300CNR1ROCK2
SCHEMBL1848054 0.81 PRKAB2 (0.38) TACR1EPHX2EP300CNR1ROCK2
SCHEMBL1847881 0.81 CNR1 (0.41) TACR1CNR1
SCHEMBL1847448 0.80 LMNA (0.34) TACR1EPHX2EP300CNR1ROCK2
SCHEMBL1848627 0.80 ROCK2 (0.38) TACR1EPHX2EP300CNR1ROCK2
SCHEMBL1846542 0.80 EP300 (0.35) EPHX2EP300CNR1DAGLABCL2L1
SCHEMBL1847877 0.78 EP300 (0.37) EPHX2EP300ROCK2BCL2L1MCL1
SCHEMBL1847077 0.77 EP300 (0.36) TACR1EP300
SCHEMBL1852052 0.77 EP300 (0.39) TACR1EPHX2EP300CNR1ROCK2

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
US-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
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