SCHEMBL20280948

SCHEMBL20280948

C=C(/C=C(\C)F)c1nnc(C(=O)NCCNc2nc(N)c3cc(OC)c(OC)cc3n2)o1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
BLM P54132 1/20 0.40
RAD52 P43351 1/20 0.39

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
SCHEMBL20280937 0.79 HIF1A (0.46) TP53MAPTMEN1KMT2A
SCHEMBL20281113 0.77 TP53 (0.50) TP53MAPTMEN1KMT2APOLB
SCHEMBL20281121 0.75 ADRA2A (0.40)
SCHEMBL20281124 0.75 ADRA2A (0.38)
SCHEMBL6785331 0.75 TP53 (0.52) TP53MAPTMEN1KMT2APOLB
SCHEMBL20280954 0.74 TLR8 (0.40) TP53MAPTMEN1KMT2A
SCHEMBL20281112 0.73 CDK2 (0.42) TP53MAPTMEN1KMT2A
SCHEMBL20281057 0.70 POLB (0.57) MAPTMEN1KMT2APOLB
SCHEMBL20280939 0.70 HDAC3 (0.42) TP53MAPTMEN1KMT2A
SCHEMBL6781777 0.69 TP53 (0.50) TP53MAPTMEN1KMT2APOLB

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-2018107200-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2018-06-21 WO disclosed