SCHEMBL6505839

SCHEMBL6505839

O=C1NC(=O)C(Cc2ccc(C#CCN3CCc4ccccc43)cc2)S1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.46
MAPT P10636 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
FFAR1 O14842 7/20 0.41
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6528104 0.83 PPARG (0.43) PPARGMAPTHRH3FFAR1PPARA
SCHEMBL291316 0.82 HRH3 (0.59) PPARGMAPTHRH3FFAR1PPARA
SCHEMBL30385807 0.82 HRH3 (0.59) PPARGMAPTHRH3FFAR1PPARA
SCHEMBL6529595 0.78 PPARG (0.48) PPARGMAPTHRH3FFAR1PPARA
SCHEMBL6506248 0.76 PTAFR (0.44) PPARGMAPTHRH3FFAR1PPARA
SCHEMBL6509096 0.75 PPARG (0.50) PPARGMAPTHRH3FFAR1PPARA
SCHEMBL6504486 0.75 PIM1 (0.47) HPGDTDP1
SCHEMBL6504488 0.75 PIM1 (0.47) HPGDTDP1
SCHEMBL4112330 0.74 ALDH1A1 (0.56) MAPTHRH3ALDH1A1MEN1CYP1A2
SCHEMBL6508034 0.73 FFAR1 (0.68) PPARGMAPTFFAR1PPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed