SCHEMBL476431

SCHEMBL476431

CC(=O)NCCOc1c(C(=O)NC(=O)C2(NCc3ccc(F)cc3)CCNCC2)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.36
TP53 P04637 4/20 0.32
MDM2 Q00987 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
CNR2 P34972 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL476266 0.98 CNR1 (0.36) CNR1TP53MDM2SMN1; SMN2CNR2
SCHEMBL476375 0.93 CNR1 (0.37) CNR1TP53MDM2SMN1; SMN2CNR2
SCHEMBL476352 0.92 CNR1 (0.37) CNR1TP53MDM2SMN1; SMN2CNR2
SCHEMBL476316 0.91 CNR1 (0.37) CNR1TP53MDM2SMN1; SMN2CNR2
SCHEMBL476386 0.91 CNR1 (0.36) CNR1TP53MDM2SMN1; SMN2CNR2
SCHEMBL476391 0.86 CNR1 (0.39) CNR1TP53MDM2MAPT
SCHEMBL476234 0.85 TP53 (0.36) CNR1TP53MDM2MAPT
SCHEMBL476225 0.84 CNR1 (0.38) CNR1TP53MDM2MAPT
SCHEMBL476345 0.84 TP53 (0.37) CNR1TP53MDM2MAPT
SCHEMBL476410 0.83 PRKAB2 (0.35) CNR1PRKAB2PRKAG1PRKAA2PRKAA1

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-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP claimed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO claimed