SCHEMBL9853951

SCHEMBL9853951

O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.59
TBXAS1 P24557 2/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 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
SCHEMBL9854002 1.00 PTAFR (0.59) PTAFRTBXAS1MEN1NPC1RAB9A
SCHEMBL9853964 0.93 PTAFR (0.52) PTAFRTBXAS1
SCHEMBL9853956 0.92 PTAFR (0.53) PTAFRTBXAS1
SCHEMBL9853960 0.90 PTAFR (0.56) PTAFRTBXAS1MEN1RAB9AKMT2A
SCHEMBL9854063 0.90 PTAFR (0.53) PTAFRTBXAS1
SCHEMBL9853992 0.90 PTAFR (0.53) PTAFRTBXAS1
SCHEMBL9854060 0.89 PTAFR (0.55) PTAFR
SCHEMBL9853930 0.89 PTAFR (0.64) PTAFRTBXAS1
SCHEMBL9853949 0.89 PTAFR (0.51) PTAFRTBXAS1
SCHEMBL9854068 0.89 PTAFR (0.56) PTAFRTBXAS1MEN1NPC1RAB9A

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