SCHEMBL8523562

SCHEMBL8523562

CN1C(=O)SC(c2ccc(OCc3nc4ccccc4c(=O)n3C)cc2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
PPARG P37231 1/20 0.60
PDE10A Q9Y233 1/20 0.50
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
ACKR3 P25106 4/20 0.44
HDAC6 Q9UBN7 2/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL10281588 0.84 PPARG (0.75) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL18388545 0.77 PPARG (0.69) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL5935612 0.76 KDM4E (0.74) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL29571968 0.76 KDM4E (0.74) KDM4EALOX15TSHRTDP1L3MBTL1
Balaglitazone SCHEMBL29362039 0.75 PPARG (1.00) KDM4EALOX15TSHRTDP1L3MBTL1
Balaglitazone SCHEMBL242011 0.75 PPARG (1.00) KDM4EALOX15TSHRTDP1L3MBTL1
Balaglitazone SCHEMBL20125575 0.75 PPARG (1.00) KDM4EALOX15TSHRTDP1L3MBTL1
Balaglitazone SCHEMBL20125574 0.75 PPARG (1.00) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL17471075 0.75 PPARG (0.67) KDM4EALOX15TSHRTDP1L3MBTL1
Balaglitazone SCHEMBL6359086 0.75 PPARG (0.98) KDM4EALOX15TSHRTDP1L3MBTL1

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
EP-0958296-A1 NOVEL HETEROCYCLIC COMPOUNDS PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED DISEASES DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-11-24 EP disclosed
WO-1997041097-A2 NOVEL HETEROCYCLIC COMPOUNDS PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED DISEASES DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed