SCHEMBL9864263

SCHEMBL9864263

Cc1nnc2n1-c1sc3c(c1C(c1ccc(CCc4ccccc4)cc1)=NC2)CCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 10/20 0.47
PGR P06401 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 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
SCHEMBL9864306 0.94 BRD4 (0.44) PTAFRPGRHTR1AADRA2AADORA3
SCHEMBL9864632 0.93 PTAFR (0.43) PTAFRPGRHTR1AADRA2AADORA3
SCHEMBL9864670 0.92 PTAFR (0.43) PTAFRPGRHTR1AADRA2AADORA3
SCHEMBL9863786 0.91 HDAC3 (0.48) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL12228314 0.91 PGR (0.45) PTAFRPGRHTR1AADRA2AADORA3
SCHEMBL9864382 0.90 PTAFR (0.52) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9864007 0.89 PTAFR (0.45) PTAFRBRD4OPRK1PDE4DMAPK1
SCHEMBL9863710 0.89 HDAC3 (0.41) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9864142 0.89 PTAFR (0.43) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9872279 0.88 HDAC3 (0.43) PTAFRPGRHTR1AADRA2AADORA3

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