SCHEMBL9845834

SCHEMBL9845834

CCOC(=O)CCCN1C(=O)CSc2ccncc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 3/20 0.44
TNF P01375 6/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
TBXAS1 P24557 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 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
SCHEMBL9845812 0.84 KMT2A (0.47) NPSR1LMNAMAPTHSD17B10USP2
SCHEMBL9850703 0.82 ALDH1A1 (0.46) NPSR1LMNAMAPTUSP2MAPK1
SCHEMBL9845852 0.79 NPSR1 (0.41) NPSR1LMNAMAPTUSP2MAPK1
SCHEMBL9850726 0.79 NPSR1 (0.50) NPSR1LMNAMAPTHSD17B10USP2
SCHEMBL4095906 0.78 ALDH1A1 (0.39) NPSR1LMNAMAPTHSD17B10USP2
SCHEMBL5795312 0.76 MAPT (0.49) NPSR1LMNATNFMAPTHSD17B10
SCHEMBL4331304 0.74 NPSR1 (0.51) NPSR1LMNATNFMAPTUSP2
SCHEMBL5811305 0.74 GAA (0.63) NPSR1TNFMAPTHSD17B10MAPK1
SCHEMBL6990864 0.70 NPSR1 (0.41) NPSR1LMNATNFMAPTMAPK1
Hydrochloric Acid SCHEMBL6988094 0.69 NPSR1 (0.40) NPSR1LMNATNFMAPTHSD17B10

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-0445467-A1 Renin inhibitors and antiviral agents Beecham Group p.l.c. (GB) 1991-09-11 EP disclosed