SCHEMBL9864632

SCHEMBL9864632

Cc1ccc(CCc2ccc(C3=NCc4nnc(C)n4-c4sc5c(c43)CCC5)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 10/20 0.43
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 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
OPRK1 P41145 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
SCHEMBL9864263 0.93 PTAFR (0.47) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9863786 0.92 HDAC3 (0.48) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9864382 0.91 PTAFR (0.52) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9872279 0.89 HDAC3 (0.43) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9864329 0.87 PTAFR (0.48) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9864389 0.87 PTAFR (0.42) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9864142 0.86 PTAFR (0.43) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL12228314 0.86 PGR (0.45) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9864670 0.85 PTAFR (0.43) PTAFRMEN1ALDH1A1POLBHTT
SCHEMBL9864524 0.82 HDAC3 (0.46) PTAFRMEN1ALDH1A1POLBHTT

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