SCHEMBL9391113

SCHEMBL9391113

O=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.56
▸ SIGMAR1 Q99720 6/20 0.51
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48

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
SCHEMBL9388143 0.96 PTAFR (0.59) PTAFRSIGMAR1
SCHEMBL9387174 0.90 PTAFR (0.53) PTAFRSIGMAR1
SCHEMBL9386195 0.84 PTAFR (0.59) PTAFRSIGMAR1
SCHEMBL9386147 0.84 PTAFR (0.59) PTAFRSIGMAR1
SCHEMBL9387180 0.78 PTAFR (0.62) PTAFR
SCHEMBL9387250 0.78 PTAFR (0.62) PTAFR
SCHEMBL9390517 0.78 PTAFR (0.62) PTAFR
SCHEMBL9388172 0.77 PTAFR (0.55) PTAFRSIGMAR1
SCHEMBL9391107 0.75 PTAFR (0.57) PTAFRSIGMAR1
SCHEMBL9242055 0.75 PTAFR (0.70) PTAFR

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
WO-1994001434-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AS PAF ANTAGONISTS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1994-01-20 — — WO disclosed
Send feedback