SCHEMBL1847448

SCHEMBL1847448

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ROCK2 O75116 1/20 0.33
EP300 Q09472 4/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TACR1 P25103 1/20 0.32
HDAC1 Q13547 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.31
ALPL P05186 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1848054 0.88 PRKAB2 (0.38) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1847477 0.86 EPHX2 (0.33) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1850509 0.85 HDAC1 (0.38) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1852052 0.84 EP300 (0.39) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1846309 0.81 EP300 (0.38) ROCK2EP300TACR1HDAC1
SCHEMBL1846837 0.81 PRKAB2 (0.37) ROCK2EP300TACR1HDAC1
SCHEMBL1846542 0.80 EP300 (0.35) EPHX2EP300CNR1
SCHEMBL1848627 0.80 ROCK2 (0.38) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1847878 0.80 TACR1 (0.35) EPHX2ROCK2EP300PTGDR2TACR1
SCHEMBL1847919 0.80 EP300 (0.37) EPHX2ROCK2EP300PTGDR2TACR1

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