SCHEMBL13899699

SCHEMBL13899699

CCN1C(=O)CS/C1=C(/C#N)c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ MAPT P10636 6/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 7/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 2/20 0.33
▸ ATM Q13315 1/20 0.32
▸ DHODH Q02127 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL13897921 1.00 KMT2A (0.50) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL6087108 0.83 MEN1 (0.62) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL6087113 0.83 MEN1 (0.62) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL13897542 0.81 KMT2A (0.51) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL13899791 0.81 KMT2A (0.51) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL13897914 0.78 KMT2A (0.53) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL13899594 0.78 KMT2A (0.53) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL13897767 0.77 KMT2A (0.50) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL13899685 0.77 KMT2A (0.50) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL13897706 0.76 MEN1 (0.54) KMT2AMEN1MAPTHSD17B10ALDH1A1

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-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 — — US disclosed
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