SCHEMBL9854014

SCHEMBL9854014

O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.59
TBXAS1 P24557 2/20 0.49
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL9853930 0.95 PTAFR (0.64) PTAFRTBXAS1
SCHEMBL9854108 0.93 PTAFR (0.56) PTAFRTBXAS1
SCHEMBL9854104 0.91 PTAFR (0.67) PTAFRTBXAS1
SCHEMBL9853918 0.90 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9853936 0.90 PTAFR (0.61) PTAFRTBXAS1
SCHEMBL9854033 0.90 PTAFR (0.54) PTAFRTBXAS1HDAC1
SCHEMBL9854126 0.90 PTAFR (0.54) PTAFRTBXAS1
SCHEMBL9854048 0.89 PTAFR (0.58) PTAFRTBXAS1
SCHEMBL9853995 0.89 PTAFR (0.58) PTAFRTBXAS1
SCHEMBL9854042 0.89 PTAFR (0.58) PTAFRTBXAS1

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-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed