SCHEMBL9864329

SCHEMBL9864329

Cc1nnc2n1-c1sc3c(c1C(c1ccc(CC(C)C)cc1)=NC2)CCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 9/20 0.48
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 1/20 0.36

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
SCHEMBL9864382 0.97 PTAFR (0.52) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9872279 0.88 HDAC3 (0.43) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9864632 0.87 PTAFR (0.43) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9864306 0.86 BRD4 (0.44) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9864263 0.86 PTAFR (0.47) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9864146 0.86 PTAFR (0.40) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9863786 0.86 HDAC3 (0.48) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL12228314 0.85 PGR (0.45) PTAFRMEN1ALDH1A1KMT2ANPSR1
SCHEMBL2538076 0.85 BRD4 (0.51) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9864670 0.84 PTAFR (0.43) PTAFRHDAC3HDAC4HDAC1HDAC7

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