SCHEMBL23673553

SCHEMBL23673553

O=C(O)C1(NS(=O)(=O)c2ccc3c(c2)oc2ccc(Br)cc23)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PLG P00747 4/20 0.46
▸ PLAU P00749 4/20 0.46
▸ PLAT P00750 1/20 0.45
▸ MMP12 P39900 15/20 0.44
▸ MMP13 P45452 7/20 0.44
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP14 P50281 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
SCHEMBL23693947 0.96 USP2 (0.51) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL6772621 0.95 USP2 (0.49) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL23673499 0.89 MMP12 (0.42) USP2HTTSMN1; SMN2PLAUPLAT
SCHEMBL6772598 0.87 HTT (0.55) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL6771478 0.85 MMP1 (0.47) MMP12MMP13MMP2MMP3MMP9
Hydroxyamine SCHEMBL7578513 0.85 HTT (0.53) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL23693537 0.85 MMP12 (0.42) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL7065810 0.84 SMN1; SMN2 (0.55) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL23693960 0.84 POLB (0.42) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL23673475 0.81 MMP12 (0.64) USP2HTTSMN1; SMN2PLGPLAU

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-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 — — WO disclosed
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 — — WO disclosed
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