SCHEMBL3403688

SCHEMBL3403688

Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCN(C(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 1/20 0.54
SCN3A Q9NY46 1/20 0.47
HPGD P15428 2/20 0.46
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CHRM4 P08173 1/20 0.42
KMT2A Q03164 1/20 0.41
HTR2C P28335 2/20 0.41
SCD O00767 2/20 0.41

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
SCHEMBL3400114 0.92 PANK3 (0.50) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3399671 0.88 MAPT (0.47) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3400291 0.88 GAA (0.45) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3400054 0.87 HPGD (0.46) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3403588 0.85 PPARA (0.55) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3402994 0.83 GAA (0.63) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3404382 0.80 HPGD (0.45) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3402647 0.79 NPC1 (0.40) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL3400908 0.78 PPARA (0.52) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL3403957 0.78 PANK3 (0.46) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A

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