SCHEMBL10628263

SCHEMBL10628263

CN(C)C(=S)NN=Cc1cccc(O)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.66
▸ KDM4E B2RXH2 6/20 0.66
▸ L3MBTL1 Q9Y468 6/20 0.66
▸ LMNA P02545 4/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ MPI P34949 3/20 0.66
▸ MAPT P10636 2/20 0.66
▸ NOX4 Q9NPH5 1/20 0.60
▸ POLB P06746 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ RECQL P46063 2/20 0.51
▸ NSD2 O96028 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ RAB9A P51151 1/20 0.50
▸ KDM1A O60341 1/20 0.48
▸ TOP2A P11388 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ KDM4C Q9H3R0 1/20 0.46
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL10628276 0.88 L3MBTL1 (0.64) GAAKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL18746290 0.80 L3MBTL1 (1.00) GAAKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL8848964 0.76 NOX4 (0.76) GAAKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL8848959 0.76 NOX4 (0.76) GAAKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL16224301 0.76 NOX4 (0.70) GAAKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL15677686 0.75 MEN1 (0.57) GAAKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL28485955 0.74 KDM4E (0.56) GAAKDM4EL3MBTL1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL17560991 0.74 NOX4 (0.68) GAAKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL6744649 0.73 GAA (0.71) GAAKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL3283258 0.73 NOX4 (0.76) GAAKDM4EL3MBTL1LMNASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135713-A2 Antiviral combinations THE WELLCOME FOUNDATION LIMITED (GB) 1985-04-03 — — EP claimed
US-4758572-A Antiviral combinations BURROUGHS WELLCOME CO. (US) 1988-07-19 — — US disclosed
US-4719221-A ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1988-01-12 — — US disclosed
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