SCHEMBL28408184

SCHEMBL28408184

N#C[C@@]1(c2ccc3c(Br)ncnn23)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.33
▸ TMPRSS2 O15393 1/20 0.33
▸ PTPN1 P18031 6/20 0.32
▸ CDC25B P30305 6/20 0.32
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 1/20 0.31
▸ PTPN2 P17706 2/20 0.31
▸ PTPN6 P29350 2/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ PDE2A O00408 1/20 0.31

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
SCHEMBL20553048 0.90 PDE2A (0.35) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL27086511 0.90 PDE2A (0.35) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL29727834 0.90 PDE2A (0.35) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL20477154 0.90 PDE2A (0.35) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL12243178 0.90 PDE2A (0.35) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL25259971 0.90 BCHE (0.36) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL17712276 0.90 PDE2A (0.35) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL28404433 0.87 PTPN1 (0.33) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL15084421 0.87 TMPRSS2 (0.39) HTR1ATMPRSS2PTPN1CDC25BBCHE
SCHEMBL25211797 0.85 TMPRSS2 (0.37) HTR1ATMPRSS2PTPN1CDC25BBCHE

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
CN-111233869-B Novel compound for preparing Rudexilvir key intermediate and preparation method thereof 杭州新博思生物医药有限公司 2022-09-16 — — CN disclosed
CN-111233869-A Novel compound for preparing Rudexilvir key intermediate and preparation method thereof 杭州新博思生物医药有限公司 2020-06-05 — — CN disclosed
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