SCHEMBL9854100

SCHEMBL9854100

O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(OCCCCCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.52
TBXAS1 P24557 2/20 0.46
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MYOF Q9NZM1 1/20 0.41
GPR132 Q9UNW8 3/20 0.41
NR1H4 Q96RI1 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
SCHEMBL9854116 0.99 PTAFR (0.53) PTAFRTBXAS1TSHRMAPK1MYOF
SCHEMBL9854123 0.97 PTAFR (0.53) PTAFRTBXAS1TSHRMAPK1MYOF
SCHEMBL9853944 0.95 PTAFR (0.54) PTAFRTBXAS1TSHRMAPK1GPR132
SCHEMBL9853969 0.90 TBXAS1 (0.51) PTAFRTBXAS1TSHRMAPK1NR1H4
SCHEMBL9854060 0.90 PTAFR (0.55) PTAFRTSHRGPR132
SCHEMBL9854003 0.88 PTAFR (0.51) PTAFRTBXAS1TSHRMAPK1NR1H4
SCHEMBL9853973 0.86 PTAFR (0.49) PTAFRTBXAS1TSHRMAPK1NR1H4
SCHEMBL9853908 0.86 PTAFR (0.53) PTAFRTBXAS1TSHRMAPK1
SCHEMBL9854002 0.86 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9853951 0.86 PTAFR (0.59) 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