SCHEMBL476345

SCHEMBL476345

NCCOc1c(C(=O)NC(=O)C2(NCc3ccc(F)cc3)CCNCC2)sc(-c2ccccc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.37
MDM2 Q00987 5/20 0.37
CNR1 P21554 2/20 0.32
MAPT P10636 3/20 0.32
PARP1 P09874 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
F10 P00742 1/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
CHRM2 P08172 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
SCHEMBL476234 0.95 TP53 (0.36) TP53MDM2CNR1MAPTF10
SCHEMBL476352 0.88 CNR1 (0.37) TP53MDM2CNR1CHRM1CHRM3
SCHEMBL476386 0.87 CNR1 (0.36) TP53MDM2CNR1CHRM1CHRM3
SCHEMBL476431 0.84 CNR1 (0.36) TP53MDM2CNR1MAPT
SCHEMBL476391 0.84 CNR1 (0.39) TP53MDM2CNR1MAPT
SCHEMBL476266 0.84 CNR1 (0.36) TP53MDM2CNR1
SCHEMBL476375 0.84 CNR1 (0.37) TP53MDM2CNR1CHRM1CHRM3
SCHEMBL476316 0.83 CNR1 (0.37) TP53MDM2CNR1
SCHEMBL476225 0.83 CNR1 (0.38) TP53MDM2CNR1MAPTKDM4E
SCHEMBL476343 0.82 CNR1 (0.41) TP53MDM2CNR1

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