SCHEMBL9565308

SCHEMBL9565308

O=C(O)C(Cc1cscn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GPR142 Q7Z601 2/20 0.43
SLC6A3 Q01959 9/20 0.42
KDM4C Q9H3R0 1/20 0.41
PKM P14618 1/20 0.41
CAPN1 P07384 1/20 0.40
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
FOLH1 Q04609 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL22193474 0.83 GPR142 (0.40) KDM4EGPR142SLC6A3KDM4CPKM
SCHEMBL5907044 0.83 DPP4 (0.49) KDM4EGPR142SLC6A3PKMDPP4
SCHEMBL990478 0.83 DPP4 (0.49) KDM4EGPR142SLC6A3PKMDPP4
SCHEMBL990477 0.83 DPP4 (0.49) KDM4EGPR142SLC6A3PKMDPP4
SCHEMBL6897379 0.83 GPR142 (0.40) KDM4EGPR142SLC6A3KDM4CPKM
SCHEMBL14561302 0.83 GPR142 (0.40) KDM4EGPR142SLC6A3KDM4CPKM
SCHEMBL6897376 0.83 GPR142 (0.40) KDM4EGPR142SLC6A3KDM4CPKM
SCHEMBL5535517 0.83 GPR142 (0.40) KDM4EGPR142SLC6A3KDM4CPKM
Hydrochloric Acid SCHEMBL7300435 0.82 DPP4 (0.48) KDM4EGPR142SLC6A3PKMDPP4
Hydrochloric Acid SCHEMBL10867215 0.82 DPP4 (0.48) KDM4EGPR142SLC6A3PKMDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543245-A1 Renin inhibiting amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-05-26 EP disclosed