SCHEMBL3398475

SCHEMBL3398475

Cc1nc(-c2cccc(OC(F)(F)F)c2)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.49
PPARD Q03181 2/20 0.49
GLS O94925 1/20 0.47
CHRM4 P08173 3/20 0.46
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
ACP1 P24666 1/20 0.44
SCN9A Q15858 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PPARG P37231 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
SCHEMBL3399733 0.99 GLS (0.48) PPARAPPARDGLSCHRM4NPC1
SCHEMBL3404144 0.94 PPARA (0.47) PPARAPPARDGLSCHRM4NPC1
SCHEMBL3405815 0.90 MAPT (0.52) NPC1HPGDMAPTRAD52LMNA
SCHEMBL3401424 0.89 PPARA (0.61) PPARAPPARDCHRM4NPC1SCN9A
SCHEMBL3405464 0.88 PPARA (0.60) PPARAPPARDCHRM4NPC1SCN9A
SCHEMBL3399919 0.87 HPGD (0.46) PPARACHRM4NPC1HPGDSCN9A
SCHEMBL3429158 0.87 GLA (0.51) CHRM4NPC1HPGDSCN9AMAPT
SCHEMBL3398440 0.87 ACKR3 (0.51) PPARAPPARDCHRM4NPC1HPGD
SCHEMBL3429141 0.86 GLA (0.50) CHRM4NPC1HPGDSCN9AMAPT
SCHEMBL3405546 0.86 MKNK2 (0.46) CHRM4NPC1HPGDSCN9AMAPT

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