SCHEMBL3406027

SCHEMBL3406027

Cc1nc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.50
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
IKBKB O14920 2/20 0.46
SCN9A Q15858 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 1/20 0.44
CHUK O15111 1/20 0.44
MAPK10 P53779 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3399568 0.99 CHRM4 (0.51) CHRM4GAASMN1; SMN2IKBKBSCN9A
SCHEMBL3402219 0.92 CHRM4 (0.49) CHRM4GAASMN1; SMN2NPSR1HSD17B10
SCHEMBL3402600 0.90 CHRM4 (0.49) CHRM4GAASMN1; SMN2SCN9ANPSR1
SCHEMBL3399475 0.90 CHRM4 (0.51) CHRM4GAASMN1; SMN2SCN9ANPSR1
SCHEMBL3405545 0.87 CHRM4 (0.50) CHRM4GAASMN1; SMN2SCN9ANPSR1
SCHEMBL3400929 0.86 SCN9A (0.49) CHRM4GAASMN1; SMN2SCN9ANPSR1
SCHEMBL3405626 0.86 CHRM4 (0.52) CHRM4GAASMN1; SMN2SCN9ANPSR1
SCHEMBL3405210 0.85 CHRM4 (0.51) CHRM4GAASMN1; SMN2NPSR1HSD17B10
SCHEMBL3405826 0.85 DPP4 (0.49) CHRM4GAANPSR1HSD17B10ALDH1A1
SCHEMBL3400096 0.85 CHRM4 (0.49) CHRM4GAASMN1; SMN2SCN9ANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed