SCHEMBL24327948

SCHEMBL24327948

O=C1C(Cl)=C(NCCN2CCSCC2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ APAF1 O14727 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.41
▸ CDC25A P30304 4/20 0.36
▸ CA2 P00918 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CDC25B P30305 2/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL24327489 0.71 CDC25A (0.40) NSD2HTTAPAF1MAPTNPC1
SCHEMBL24327493 0.71 CDC25A (0.42) NSD2HTTAPAF1MAPTNPC1
SCHEMBL24327529 0.71 MAPT (0.47) NSD2HTTAPAF1MAPTNPC1
SCHEMBL24327930 0.70 MAPT (0.46) NSD2HTTAPAF1MAPTNPC1
SCHEMBL13991788 0.69 CYP19A1 (0.57) NSD2HTTAPAF1MAPTNPC1
SCHEMBL10351964 0.69 CYP19A1 (0.57) NSD2HTTAPAF1MAPTNPC1
SCHEMBL24327927 0.69 CDC25A (0.46) NSD2HTTAPAF1MAPTNPC1
SCHEMBL24327527 0.69 CDC25A (0.46) NSD2HTTAPAF1MAPTNPC1
SCHEMBL24327487 0.69 CDC25A (0.46) NSD2HTTAPAF1MAPTNPC1
SCHEMBL10622173 0.68 CYP19A1 (0.50) NSD2HTTAPAF1MAPTNPC1

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-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — WO disclosed
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