SCHEMBL1848735

SCHEMBL1848735

CSCCCOc1ccc(-c2cc(C(=O)NC(=O)C3(N4CCC(F)(F)CC4)CCNCC3)sc2-c2ccc(F)cc2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 8/20 0.34
PRKAG1 P54619 8/20 0.34
PRKAA2 P54646 8/20 0.34
PRKAA1 Q13131 8/20 0.34
PRKAG3 Q9UGI9 8/20 0.34
PRKAG2 Q9UGJ0 8/20 0.34
PRKAB1 Q9Y478 8/20 0.34
EP300 Q09472 3/20 0.34
MAPK14 Q16539 1/20 0.32
HSP90AB1 P08238 1/20 0.31
BACE1 P56817 1/20 0.31
MGAT2 Q10469 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
SCHEMBL1846655 0.91 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1849014 0.85 MEN1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1847309 0.85 EP300 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1848732 0.82 CNR1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL2158342 0.81 CNR1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1846837 0.77 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2159734 0.77 OPRD1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1849260 0.76 MAPK14 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1848882 0.75 MGAT2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1847077 0.75 EP300 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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