SCHEMBL1847309

SCHEMBL1847309

CSCCCOc1ccc(-c2cc(C(=O)NC(=O)C3(c4ccccc4)CCNCC3)sc2-c2ccc(F)cc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.36
PRKAB2 O43741 3/20 0.33
PRKAG1 P54619 3/20 0.33
PRKAA2 P54646 3/20 0.33
PRKAA1 Q13131 3/20 0.33
PRKAG3 Q9UGI9 3/20 0.33
PRKAG2 Q9UGJ0 3/20 0.33
PRKAB1 Q9Y478 3/20 0.33
FFAR4 Q5NUL3 2/20 0.33
FFAR1 O14842 1/20 0.33
MGAT2 Q10469 2/20 0.32
BACE1 P56817 1/20 0.32
TACR1 P25103 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
CCR8 P51685 1/20 0.31
ROCK2 O75116 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 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
SCHEMBL1846837 0.92 PRKAB2 (0.37) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1847077 0.90 EP300 (0.36) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1847919 0.88 EP300 (0.37) EP300BACE1TACR1CCR8ROCK2
SCHEMBL1848054 0.85 PRKAB2 (0.38) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1848735 0.85 PRKAB2 (0.34) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1846309 0.84 EP300 (0.38) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1850453 0.84 MEN1 (0.38) EP300TACR1CHRM2CHRM1CHRM3
SCHEMBL1846542 0.82 EP300 (0.35) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1852052 0.81 EP300 (0.39) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1847310 0.80 CNR1 (0.37) TACR1ADAMTS7ADAMTS5

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