SCHEMBL677399

SCHEMBL677399

CNc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(NC(=O)c5cccc(C(=O)Nc6ccc(O)c(NC(=O)c7cccc(C(C)=O)c7)c6)c5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
AR P10275 1/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
PGR P06401 2/20 0.43
RAF1 P04049 6/20 0.43
BRAF P15056 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 2/20 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
SCHEMBL677398 0.94 KMT2A (0.48) POLBKMT2ABRAFHDAC1RXFP1
SCHEMBL676656 0.90 AR (0.53) ARPOLBKMT2APGRBRAF
SCHEMBL1108328 0.90 AR (0.53) ARPOLBKMT2APGRBRAF
SCHEMBL677388 0.90 AR (0.47) KDRARPOLBKMT2APGR
SCHEMBL677407 0.87 PGR (0.54) ARPOLBKMT2APGRBRAF
SCHEMBL13878426 0.83 ESRRA (0.44) POLBKMT2ARAF1HDAC1RXFP1
SCHEMBL677965 0.82 KCNMA1 (0.45) POLBKMT2AHDAC1HDAC2RXFP1
SCHEMBL676652 0.82 HDAC1 (0.46) POLBKMT2AHDAC1HDAC2RXFP1
SCHEMBL13878418 0.80 ESRRA (0.42) KMT2ABRAFHDAC3HDAC4HDAC1
SCHEMBL12417166 0.80 ESRRA (0.47) KMT2AHDAC1RXFP1RAB9AMEN1

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
US-7906213-B2 Epoxy resin curable composition for prepreg ADEKA CORPORATION (JP) 2011-03-15 US disclosed
US-20090030147-A1 Epoxy Resin Curable Composition For Prepreg ADEKA CORPORATION (JP) 2009-01-29 US disclosed