SCHEMBL9387199

SCHEMBL9387199

COc1cc(-c2oc3ccccc3c(=O)c2OCCCN2CCN(C(=O)[C@@H]3CSC(c4cccnc4)N3)CC2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.54
▸ TBXAS1 P24557 5/20 0.46
▸ TERT O14746 4/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ SIGMAR1 Q99720 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
SCHEMBL9387198 0.91 PTAFR (0.56) PTAFRTBXAS1ABCG2SIGMAR1
SCHEMBL9390517 0.90 PTAFR (0.62) PTAFRTBXAS1
SCHEMBL9387250 0.90 PTAFR (0.62) PTAFRTBXAS1
SCHEMBL9387180 0.90 PTAFR (0.62) PTAFRTBXAS1
SCHEMBL9386962 0.89 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9386178 0.88 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9391094 0.88 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9388172 0.88 PTAFR (0.55) PTAFRTBXAS1HSD17B10SIGMAR1
SCHEMBL9391107 0.85 PTAFR (0.57) PTAFRTBXAS1HSD17B10SIGMAR1
SCHEMBL9386186 0.82 PTAFR (0.62) 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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