SCHEMBL9854060

SCHEMBL9854060

O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.55
GPR132 Q9UNW8 9/20 0.49
CMKLR2 P46091 1/20 0.47
CMKLR1 Q99788 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9853944 0.92 PTAFR (0.54) PTAFRGPR132TSHR
SCHEMBL9854123 0.91 PTAFR (0.53) PTAFRGPR132TSHR
SCHEMBL9854116 0.91 PTAFR (0.53) PTAFRGPR132TSHR
SCHEMBL9854100 0.90 PTAFR (0.52) PTAFRGPR132TSHR
SCHEMBL9853908 0.89 PTAFR (0.53) PTAFRALDH1A1TSHR
SCHEMBL9853951 0.89 PTAFR (0.59) PTAFR
SCHEMBL9854002 0.89 PTAFR (0.59) PTAFR
SCHEMBL9854003 0.87 PTAFR (0.51) PTAFRALDH1A1TSHR
SCHEMBL9853960 0.87 PTAFR (0.56) PTAFRALDH1A1TSHR
SCHEMBL9853950 0.86 PTAFR (0.57) PTAFRALDH1A1

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