SCHEMBL9386285

SCHEMBL9386285

O=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCOc2csc3ccccc3c2=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.62
▸ TBXAS1 P24557 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL9386186 0.85 PTAFR (0.62) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9390517 0.80 PTAFR (0.62) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9387180 0.80 PTAFR (0.62) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9387250 0.80 PTAFR (0.62) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9386195 0.79 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9386178 0.78 PTAFR (0.57) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9391094 0.78 PTAFR (0.57) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9386962 0.78 PTAFR (0.57) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9819753 0.77 PTAFR (1.00) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9387199 0.77 PTAFR (0.54) 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
WO-1994001434-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AS PAF ANTAGONISTS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1994-01-20 — — WO disclosed
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