SCHEMBL5359196

SCHEMBL5359196

O=C(NCc1ccccc1)c1sc(Nc2cccc3cccnc23)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.50
PPARG P37231 4/20 0.48
NCOA2 Q15596 4/20 0.48
NCOA1 Q15788 4/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NCOA3 Q9Y6Q9 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX12 P18054 1/20 0.46
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL5363055 0.87 EGLN1 (0.51) EGLN1MAPTKMT2AALDH1A1HPGD
SCHEMBL5351199 0.83 EGLN1 (0.47) EGLN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5364912 0.81 KMT2A (0.67) PPARGNCOA2NCOA1MAPTKMT2A
SCHEMBL5367089 0.80 GAA (0.62) PPARGNCOA2NCOA1MAPTKMT2A
SCHEMBL5369173 0.79 KMT2A (0.59) PPARGNCOA2NCOA1MAPTKMT2A
SCHEMBL5397042 0.76 KMT2A (0.58) PPARGNCOA2NCOA1MAPTKMT2A
SCHEMBL5402536 0.76 LMNA (0.55) PPARGNCOA2NCOA1MAPTKMT2A
SCHEMBL3590806 0.75 ADORA3 (0.69) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL5412970 0.74 PTGDR2 (0.62) PPARGNCOA2NCOA1MAPTKMT2A
SCHEMBL5413651 0.74 PTGDR2 (0.63) MAPTKMT2AALDH1A1HPGDKDM4E

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
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed