SCHEMBL3402600

SCHEMBL3402600

Cc1nc(-c2ccc(Cl)c(F)c2)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.49
SCN9A Q15858 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
PPARA Q07869 1/20 0.43
EPHX2 P34913 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MET P08581 1/20 0.42
CNR2 P34972 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3402105 0.94 CHRM4 (0.47) CHRM4GAASMN1; SMN2HPGDLMNA
SCHEMBL3401053 0.94 CHRM4 (0.47) CHRM4GAASMN1; SMN2HPGDLMNA
SCHEMBL3399475 0.92 CHRM4 (0.51) CHRM4SCN9AGAASMN1; SMN2TSHR
SCHEMBL3400096 0.91 CHRM4 (0.49) CHRM4SCN9AGAASMN1; SMN2TSHR
SCHEMBL3399568 0.91 CHRM4 (0.51) CHRM4SCN9AGAASMN1; SMN2PPARA
SCHEMBL3406027 0.90 CHRM4 (0.50) CHRM4SCN9AGAASMN1; SMN2PPARA
SCHEMBL3400929 0.90 SCN9A (0.49) CHRM4SCN9AGAASMN1; SMN2TSHR
SCHEMBL3402155 0.87 CD274 (0.55) CHRM4SCN9ASMN1; SMN2NPC1LMNA
SCHEMBL3402417 0.87 CHRM4 (0.49) CHRM4GAASMN1; SMN2PPARAHPGD
SCHEMBL3403817 0.86 CHRM4 (0.49) CHRM4GAASMN1; SMN2PPARAHPGD

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