SCHEMBL1849014

SCHEMBL1849014

O=C(NC(=O)C1(N2CCC(F)(F)CC2)CCNCC1)c1cc(-c2ccc(OCCCO[C@@H]3CCCCO3)cc2)c(-c2ccc(F)cc2Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EP300 Q09472 5/20 0.33
PRKAB2 O43741 4/20 0.32
PRKAG1 P54619 4/20 0.32
PRKAA2 P54646 4/20 0.32
PRKAA1 Q13131 4/20 0.32
PRKAG3 Q9UGI9 4/20 0.32
PRKAG2 Q9UGJ0 4/20 0.32
PRKAB1 Q9Y478 4/20 0.32
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 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
SCHEMBL1850453 0.87 MEN1 (0.38) MEN1KMT2AEP300
SCHEMBL1846958 0.86 MEN1 (0.36) MEN1KMT2AEP300
SCHEMBL1848735 0.85 PRKAB2 (0.34) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1846655 0.85 PRKAB2 (0.34) EP300PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2158953 0.84 CNR1 (0.38) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL1848429 0.80 MEN1 (0.51) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL2158549 0.80 MEN1 (0.44) MEN1KMT2AEP300PRKAB2PRKAG1
SCHEMBL1846922 0.80 MEN1 (0.40) MEN1KMT2AEP300PRKAB2PRKAG1
SCHEMBL1846961 0.77 OPRL1 (0.37) MEN1KMT2A
SCHEMBL1850456 0.75 MEN1 (0.38) MEN1KMT2A

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