SCHEMBL9854048

SCHEMBL9854048

Cc1cccc(C(=O)Nc2ccn3c2CSC3c2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.58
TBXAS1 P24557 2/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.43
BRAF P15056 1/20 0.43
IDE P14735 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9853956 0.92 PTAFR (0.53) PTAFRTBXAS1POLB
SCHEMBL9853995 0.91 PTAFR (0.58) PTAFRTBXAS1
SCHEMBL9854083 0.90 PTAFR (0.63) PTAFRTBXAS1
SCHEMBL9854079 0.90 PTAFR (0.63) PTAFRTBXAS1
SCHEMBL9853918 0.90 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9853936 0.90 PTAFR (0.61) PTAFRTBXAS1
SCHEMBL9854014 0.89 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9853928 0.89 PTAFR (0.56) PTAFRTBXAS1
SCHEMBL9854055 0.89 PTAFR (0.51) PTAFRTBXAS1POLB
SCHEMBL9854059 0.89 PTAFR (0.58) PTAFRTBXAS1POLBLMNAKMT2A

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