SCHEMBL3400002

SCHEMBL3400002

CC(=O)c1ccc(-c2nc(C)c(C(=O)NC3CCN(C)CC3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.54
PPARD Q03181 6/20 0.50
PPARG P37231 2/20 0.50
CNR1 P21554 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 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
SCHEMBL3402266 0.86 PPARA (0.49) PPARAPPARDPPARGCNR1SMN1; SMN2
SCHEMBL3404075 0.86 PPARA (0.58) PPARAPPARDPPARGCNR1SMN1; SMN2
SCHEMBL13071969 0.85 CHRM4 (0.54) PPARAPPARDPPARGCNR1SMN1; SMN2
SCHEMBL3399546 0.85 PPARA (0.48) PPARAPPARDPPARGCNR1SMN1; SMN2
SCHEMBL3402398 0.85 NPC1 (0.62) PPARAPPARDPPARGHDAC4HDAC6
SCHEMBL3401401 0.83 PPARA (0.53) PPARAPPARDPPARGCNR1SMN1; SMN2
SCHEMBL3403484 0.83 PPARA (0.49) PPARAPPARDPPARGCNR1ALDH1A1
SCHEMBL3404893 0.83 PPARA (0.50) PPARAPPARDPPARGCNR1SMN1; SMN2
SCHEMBL3399603 0.83 PPARA (0.55) PPARAPPARDPPARGCNR1HDAC4
SCHEMBL3405227 0.82 PPARA (0.48) PPARAPPARDPPARGCNR1LMNA

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