SCHEMBL11004147

SCHEMBL11004147

Cc1nccnc1-c1ccc(=O)[nH]c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PDE3B Q13370 7/20 0.39
▸ PDE3A Q14432 7/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ MAP4K4 O95819 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ USP7 Q93009 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34

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
SCHEMBL11001194 0.78 PDGFRB (0.42) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL11000458 0.78 PDGFRB (0.45) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL11447916 0.76 MKNK1 (0.50) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL10997600 0.72 MEN1 (0.41) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL10997645 0.71 MAPT (0.44) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL10997700 0.71 AURKB (0.53) ALDH1A1MAPTKDM4ETHRBMEN1
SCHEMBL23346571 0.70 PDGFRB (0.50) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL18074847 0.70 PTGS2 (0.52) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL10263741 0.70 TDP1 (0.42) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL13575374 0.69 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ETHRBL3MBTL1

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
US-4514400-A Cardiotonic 5-heteroaryl-pyridone WILLIAM H. RORER, INC. (US) 1985-04-30 — — US disclosed
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