SCHEMBL9864310

SCHEMBL9864310

Cc1nnc2n1-c1sc3c(c1C(c1ccc(COc4ccc(Cl)cc4)cc1)=NC2)CCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
BRD4 O60885 4/20 0.42
PTAFR P25105 7/20 0.39
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
OPRK1 P41145 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9863786 0.89 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2538076 0.89 BRD4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864267 0.85 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864919 0.84 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9872279 0.83 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864632 0.82 PTAFR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864306 0.81 BRD4 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864329 0.81 PTAFR (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864263 0.81 PTAFR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12228314 0.80 PGR (0.45) BRD4PTAFRMEN1ALDH1A1KMT2A

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
EP-0407955-A1 New hetrazepines acting as PAF antagonists, process for their production and their use as drugs BOEHRINGER INGELHEIM KG (DE) 1991-01-16 EP disclosed