SCHEMBL3400864

SCHEMBL3400864

Cc1nc(-c2cc(Cl)cc(Cl)c2)sc1C(=O)NCCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
CHRM4 P08173 2/20 0.49
MAPT P10636 4/20 0.48
RAD52 P43351 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
STAT1 P42224 1/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.48
STAT3 P40763 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
DRD2 P14416 1/20 0.45

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
SCHEMBL3400078 0.97 CHRM4 (0.49) GAACHRM4MAPTRAD52LMNA
SCHEMBL3405210 0.94 CHRM4 (0.51) GAACHRM4HPGDALDH1A1NPSR1
SCHEMBL3405545 0.93 CHRM4 (0.50) GAACHRM4HPGDALDH1A1NPSR1
SCHEMBL3398627 0.87 CHRM4 (0.60) GAACHRM4MAPTRAD52LMNA
SCHEMBL3402417 0.86 CHRM4 (0.49) GAACHRM4MAPTRAD52LMNA
SCHEMBL14545337 0.85 CHRM4 (0.48) GAACHRM4HPGDALDH1A1NPSR1
SCHEMBL3405260 0.85 GAA (0.48) GAACHRM4MAPTRAD52LMNA
SCHEMBL3402105 0.84 CHRM4 (0.47) GAACHRM4MAPTRAD52LMNA
SCHEMBL3404779 0.84 MAPK1 (0.49) GAACHRM4MAPTRAD52LMNA
SCHEMBL3399569 0.84 MAPK1 (0.49) GAACHRM4MAPTRAD52LMNA

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