SCHEMBL9863786

SCHEMBL9863786

Cc1nnc2n1-c1sc3c(c1C(c1ccc(CCc4ccc(Cl)cc4)cc1)=NC2)CCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
PTAFR P25105 11/20 0.46
BRD4 O60885 2/20 0.46
LMNA P02545 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
OPRK1 P41145 1/20 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
SCHEMBL2538076 0.94 BRD4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864632 0.92 PTAFR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864263 0.91 PTAFR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864267 0.89 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864310 0.89 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864382 0.89 PTAFR (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9864919 0.89 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9472715 0.88 PTAFR (0.53) PTAFROPRK1
SCHEMBL9863710 0.88 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9872279 0.87 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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