SCHEMBL6311892

SCHEMBL6311892

CCOC(=O)CCSc1nc2cc(Cl)c(Cl)cc2nc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.43
BRCA1 P38398 1/20 0.43
POLB P06746 2/20 0.42
GLP1R P43220 4/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PPOX P50336 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6306880 0.70 GLP1R (0.53) GLP1R
SCHEMBL31010032 0.67 HPGD (0.50) HPGDMAPTL3MBTL1KMT2AKDM4E
SCHEMBL949030 0.67 HTT (0.53) HPGDMAPTL3MBTL1KMT2AKDM4E
SCHEMBL24013257 0.67 KMT2A (0.45) HPGDMAPTL3MBTL1KMT2AKDM4E
SCHEMBL20804137 0.66 L3MBTL1 (0.61) HPGDMAPTL3MBTL1KMT2AKDM4E
SCHEMBL31009985 0.65 KMT2A (0.48) HPGDMAPTL3MBTL1KMT2AKDM4E
SCHEMBL28446155 0.65 ALDH1A1 (0.58) HPGDMAPTL3MBTL1KMT2AKDM4E
SCHEMBL28932704 0.64 HTT (0.68) HPGDMAPTL3MBTL1KMT2AMEN1
SCHEMBL26830072 0.63 KMT2A (0.49) HPGDMAPTL3MBTL1KMT2AKDM4E
SCHEMBL2552563 0.63 GLP1R (0.66) MAPTL3MBTL1KDM4EGLP1RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed
EP-1147094-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2001-10-24 EP disclosed
WO-2000042026-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2000-07-20 WO disclosed