SCHEMBL4084868

SCHEMBL4084868

CCc1cc(-c2cnc(S)n2-c2ccc3c(c2)c(C)c(C)n3C(C)=O)c(O)cc1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL1147970 0.93 KMT2A (0.32) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL13100055 0.90 KMT2A (0.31) KMT2AMEN1KDM4EMAPT
SCHEMBL1343276 0.88 MAPT (0.36) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL14618681 0.86 MEN1 (0.32) KMT2AMEN1
SCHEMBL1148541 0.85 KDM4E (0.32) KDM4EGAAMAPT
SCHEMBL443435 0.85 HSP90AA1 (0.35) KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL13108814 0.83
SCHEMBL14618676 0.82 MAPT (0.34) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL14618523 0.79 CNR2 (0.31) KMT2AGAA
SCHEMBL1344009 0.78 HCRTR1 (0.36) KMT2AMEN1KDM4EMAPTHSP90AA1

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-2054059-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-05-06 EP claimed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO claimed