SCHEMBL1852052

SCHEMBL1852052

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.39
PRKAB2 O43741 4/20 0.36
PRKAG1 P54619 4/20 0.36
PRKAA2 P54646 4/20 0.36
PRKAA1 Q13131 4/20 0.36
PRKAG3 Q9UGI9 4/20 0.36
PRKAG2 Q9UGJ0 4/20 0.36
PRKAB1 Q9Y478 4/20 0.36
EPHX2 P34913 1/20 0.34
ROCK2 O75116 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
TACR1 P25103 1/20 0.33
HDAC1 Q13547 1/20 0.33
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.32
OPRM1 P35372 1/20 0.32
BACE1 P56817 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 0.95 PRKAB2 (0.38) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1849353 0.93 EP300 (0.36) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1847877 0.91 EP300 (0.37) EP300EPHX2ROCK2BCL2L1MCL1
SCHEMBL1847919 0.91 EP300 (0.37) EP300EPHX2ROCK2PTGDR2TACR1
SCHEMBL1848723 0.89 EP300 (0.36) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1846309 0.88 EP300 (0.38) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1848299 0.88 EP300 (0.47) EP300ROCK2HDAC1MAPTCNR1
SCHEMBL1846837 0.88 PRKAB2 (0.37) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1848627 0.86 ROCK2 (0.38) EP300EPHX2ROCK2PTGDR2TACR1
SCHEMBL1846542 0.86 EP300 (0.35) EP300PRKAB2PRKAG1PRKAA2PRKAA1

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