SCHEMBL7275089

SCHEMBL7275089

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A3 Q01959 8/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GPR142 Q7Z601 1/20 0.34
OPRD1 P41143 1/20 0.34
NTRK1 P04629 1/20 0.33
CAPN1 P07384 1/20 0.33
ALOX5 P09917 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL20899861 0.78 POLQ (0.46) MAPK1NPSR1PKMGAALMNA
SCHEMBL5693351 0.76 MAPK1 (0.43) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL20899886 0.76 MAPK1 (0.47) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL7304678 0.76 SLC6A3 (0.35) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL7094417 0.74 MAPK1 (0.44) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL16578235 0.71 OPRD1 (0.34) MAPK1NPSR1SLC6A3KDM4CGPR142
SCHEMBL21838187 0.71 OPRD1 (0.34) MAPK1NPSR1SLC6A3KDM4CGPR142
SCHEMBL9565308 0.70 KDM4E (0.44) MAPK1NPSR1PKMSLC6A3KDM4E
SCHEMBL5535517 0.69 GPR142 (0.40) MAPK1NPSR1PKMSLC6A3KDM4E
SCHEMBL14561302 0.69 GPR142 (0.40) MAPK1NPSR1PKMSLC6A3KDM4E

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
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed