SCHEMBL476189

SCHEMBL476189

O=C(NC(=O)C1(C2CCCCC2)CCNCC1)c1sc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.37
CNR2 P34972 2/20 0.37
TP53 P04637 3/20 0.34
MDM2 Q00987 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL476257 0.85 CNR1 (0.33) CNR1CNR2TP53MDM2KMT2A
SCHEMBL476187 0.81 ROCK2 (0.37) CNR1CNR2TP53MDM2
SCHEMBL476188 0.76 CNR1 (0.38) CNR1CNR2TP53MDM2NPC1
SCHEMBL476315 0.70 ROCK2 (0.35) CNR1CNR2
SCHEMBL476368 0.69 PTGDR2 (0.35) CNR1CNR2
SCHEMBL476391 0.68 CNR1 (0.39) CNR1TP53MDM2
SCHEMBL476255 0.68 PTGDR2 (0.34) CNR1CNR2
SCHEMBL476225 0.67 CNR1 (0.38) CNR1TP53MDM2
SCHEMBL476418 0.67 CNR1 (0.32) CNR1CNR2
SCHEMBL476352 0.66 CNR1 (0.37) CNR1CNR2TP53MDM2

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 disclosed
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 disclosed