SCHEMBL9391117

SCHEMBL9391117

CC1(C)SC(c2cccnc2)N[C@H]1C(=O)N1CCN(CCCOc2c(-c3ccccc3)oc3ccccc3c2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.44
▸ KCNA3 P22001 1/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ XDH P47989 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TBXAS1 P24557 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35

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
SCHEMBL9391134 1.00 PTAFR (0.44) PTAFRKCNA3SIGMAR1KDM4EGAA
SCHEMBL9387180 0.86 PTAFR (0.62) PTAFRKCNA3KDM4EALDH1A1TBXAS1
SCHEMBL9390517 0.86 PTAFR (0.62) PTAFRKCNA3KDM4EALDH1A1TBXAS1
SCHEMBL9387250 0.86 PTAFR (0.62) PTAFRKCNA3KDM4EALDH1A1TBXAS1
SCHEMBL9386962 0.82 PTAFR (0.57) PTAFRKDM4EALDH1A1TSHRTBXAS1
SCHEMBL9387198 0.81 PTAFR (0.56) PTAFRSIGMAR1KDM4EGAAALDH1A1
SCHEMBL9391094 0.81 PTAFR (0.57) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9386178 0.81 PTAFR (0.57) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9388172 0.79 PTAFR (0.55) PTAFRSIGMAR1KDM4EHSD17B10ALDH1A1
SCHEMBL9391107 0.79 PTAFR (0.57) PTAFRSIGMAR1KDM4EHSD17B10ALDH1A1

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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