SCHEMBL9386147

SCHEMBL9386147

O=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCOc2cccc3oc(-c4ccccc4)cc(=O)c23)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.59
▸ SIGMAR1 Q99720 5/20 0.56
▸ TBXAS1 P24557 5/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9386195 0.90 PTAFR (0.59) PTAFRSIGMAR1TBXAS1HRH3
SCHEMBL9388143 0.88 PTAFR (0.59) PTAFRSIGMAR1TBXAS1
SCHEMBL9391113 0.84 PTAFR (0.56) PTAFRSIGMAR1
SCHEMBL9387174 0.82 PTAFR (0.53) PTAFRSIGMAR1
SCHEMBL9387250 0.81 PTAFR (0.62) PTAFRTBXAS1HRH3KDM4EALDH1A1
SCHEMBL9387180 0.81 PTAFR (0.62) PTAFRTBXAS1HRH3KDM4EALDH1A1
SCHEMBL9390517 0.81 PTAFR (0.62) PTAFRTBXAS1HRH3KDM4EALDH1A1
SCHEMBL9391107 0.80 PTAFR (0.57) PTAFRSIGMAR1TBXAS1KDM4EALDH1A1
SCHEMBL9386186 0.80 PTAFR (0.62) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9388172 0.78 PTAFR (0.55) PTAFRSIGMAR1TBXAS1HRH3KDM4E

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
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