SCHEMBL9386178

SCHEMBL9386178

O=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCOc2c(-c3ccc(Cl)cc3)oc3ccccc3c2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.57
▸ TBXAS1 P24557 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL9390517 0.94 PTAFR (0.62) PTAFRTBXAS1ALDH1A1KDM4E
SCHEMBL9387180 0.94 PTAFR (0.62) PTAFRTBXAS1ALDH1A1KDM4E
SCHEMBL9387250 0.94 PTAFR (0.62) PTAFRTBXAS1ALDH1A1KDM4E
SCHEMBL9391094 0.93 PTAFR (0.57) PTAFRTBXAS1ALDH1A1KDM4E
SCHEMBL9386962 0.93 PTAFR (0.57) PTAFRTBXAS1ALDH1A1KDM4E
SCHEMBL9387198 0.92 PTAFR (0.56) PTAFRTBXAS1ALDH1A1KDM4E
SCHEMBL9387199 0.88 PTAFR (0.54) PTAFRTBXAS1
SCHEMBL9391107 0.87 PTAFR (0.57) PTAFRTBXAS1ALDH1A1KDM4E
SCHEMBL9388172 0.86 PTAFR (0.55) PTAFRTBXAS1ALDH1A1KDM4E
SCHEMBL9386186 0.83 PTAFR (0.62) PTAFRTBXAS1ALDH1A1KDM4E

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