SCHEMBL9387198

SCHEMBL9387198

COc1ccc(-c2oc3ccccc3c(=O)c2OCCCN2CCN(C(=O)[C@@H]3CSC(c4cccnc4)N3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ TBXAS1 P24557 5/20 0.44
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ABCG2 Q9UNQ0 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
SCHEMBL9386962 0.93 PTAFR (0.57) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9390517 0.93 PTAFR (0.62) PTAFRKDM4EALDH1A1TBXAS1HRH3
SCHEMBL9387180 0.93 PTAFR (0.62) PTAFRKDM4EALDH1A1TBXAS1HRH3
SCHEMBL9387250 0.93 PTAFR (0.62) PTAFRKDM4EALDH1A1TBXAS1HRH3
SCHEMBL9388172 0.93 PTAFR (0.55) PTAFRKDM4EALDH1A1TBXAS1MAPT
SCHEMBL9386178 0.92 PTAFR (0.57) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9391094 0.92 PTAFR (0.57) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9387199 0.91 PTAFR (0.54) PTAFRTBXAS1SIGMAR1ABCG2
SCHEMBL9391107 0.86 PTAFR (0.57) PTAFRKDM4EALDH1A1TBXAS1HPGD
SCHEMBL9386186 0.82 PTAFR (0.62) PTAFRKDM4EALDH1A1TBXAS1MAPT

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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