SCHEMBL1850509

SCHEMBL1850509

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
ROCK2 O75116 2/20 0.37
EPHX2 P34913 1/20 0.36
EP300 Q09472 4/20 0.34
TACR1 P25103 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CNR1 P21554 2/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.33
AKT1 P31749 1/20 0.33
CNR2 P34972 1/20 0.33
FABP4 P15090 1/20 0.32

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
SCHEMBL1848054 0.86 PRKAB2 (0.38) HDAC1ROCK2EPHX2EP300TACR1
SCHEMBL1848627 0.86 ROCK2 (0.38) HDAC1ROCK2EPHX2EP300TACR1
SCHEMBL1847448 0.85 LMNA (0.34) HDAC1ROCK2EPHX2EP300TACR1
SCHEMBL1847477 0.85 EPHX2 (0.33) HDAC1ROCK2EPHX2EP300TACR1
SCHEMBL1848299 0.83 EP300 (0.47) HDAC1ROCK2EP300CNR1MAPT
SCHEMBL1847878 0.83 TACR1 (0.35) HDAC1ROCK2EPHX2EP300TACR1
SCHEMBL1852052 0.82 EP300 (0.39) HDAC1ROCK2EPHX2EP300TACR1
SCHEMBL1846542 0.82 EP300 (0.35) EPHX2EP300CNR1CNR2
SCHEMBL1849353 0.80 EP300 (0.36) HDAC1ROCK2EPHX2EP300TACR1
SCHEMBL1846837 0.79 PRKAB2 (0.37) HDAC1ROCK2EP300TACR1

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