SCHEMBL9864146

SCHEMBL9864146

Cc1nnc2n1-c1sc3c(c1C(c1ccc(C(Cc4ccccc4)C(C)C)cc1)=NC2)CCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 8/20 0.40
BRD4 O60885 4/20 0.39
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
OPRK1 P41145 1/20 0.36
PDE4D Q08499 1/20 0.36
PGR P06401 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL9864329 0.86 PTAFR (0.48) PTAFRBRD4HDAC3HDAC4HDAC1
SCHEMBL9864306 0.86 BRD4 (0.44) PTAFRBRD4HDAC3HDAC4HDAC1
SCHEMBL9864263 0.86 PTAFR (0.47) PTAFRBRD4HDAC3HDAC4HDAC1
SCHEMBL12228314 0.85 PGR (0.45) PTAFRBRD4OPRK1PDE4DPGR
SCHEMBL9864382 0.84 PTAFR (0.52) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9864670 0.84 PTAFR (0.43) PTAFRBRD4HDAC3HDAC4HDAC1
SCHEMBL9864373 0.81 BRD4 (0.43) PTAFRBRD4OPRK1PDE4D
SCHEMBL9863800 0.81 PTAFR (0.39) PTAFRBRD4HDAC3HDAC4HDAC1
SCHEMBL9872279 0.80 HDAC3 (0.43) PTAFRBRD4HDAC3HDAC4HDAC1
SCHEMBL9864524 0.80 HDAC3 (0.46) PTAFRBRD4HDAC3HDAC4HDAC1

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