SCHEMBL9851546

SCHEMBL9851546

CCCOc1ccc(NC(C)=O)cc1-c1ccc(C(N)=O)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.51
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.43
RORC P51449 1/20 0.40
PDE6C P51160 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE11A Q9HCR9 1/20 0.40

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
SCHEMBL7646403 0.83 PDE5A (0.41) PDE5AMAPTHSD17B10
SCHEMBL7374277 0.82 PDE5A (0.52) PDE5AMAPTHSD17B10
SCHEMBL7648303 0.82 KDM4E (0.43) PDE5AMAPTHSD17B10
SCHEMBL149188 0.80 KMT2A (0.48) PDE5AMAPTHSD17B10PDE6CPDE1A
SCHEMBL7644598 0.75 KDM4E (0.43) MAPTHSD17B10
SCHEMBL7645418 0.74 HPGD (0.39) PDE5AMAPTHSD17B10
SCHEMBL7645372 0.74 KMT2A (0.53) PDE5AMAPTPDE6CPDE1APDE1B
SCHEMBL10875693 0.72 TDP1 (0.78) PDE5AMAPTHSD17B10TDP1RORC
SCHEMBL7368255 0.72 KDM4E (0.51) PDE5AMAPTHSD17B10PDE6CPDE1A
SCHEMBL2569103 0.71 PDE5A (0.84) PDE5APDE6CPDE1APDE1BPDE1C

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-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP claimed
EP-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP disclosed