SCHEMBL11258587

SCHEMBL11258587

CCn1nc(S)n(CC)c(=O)c1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ TBXAS1 P24557 1/20 0.30

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
SCHEMBL6749053 0.70 GSK3A (0.39) —
SCHEMBL28475407 0.68 — —
Hydrochloric Acid SCHEMBL27848734 0.66 — —
SCHEMBL8633140 0.65 SRC (0.33) SIRT2SIRT1SIRT3SIRT5
SCHEMBL17558815 0.61 ADORA2A (0.35) MAPTSIRT2SIRT1SIRT3SIRT5
SCHEMBL11875716 0.61 — —
SCHEMBL9670265 0.60 KDM4E (0.60) MAPT
SCHEMBL9652276 0.60 KMT2A (0.42) MAPTADORA3ADORA1TBXAS1
SCHEMBL8647302 0.60 — —
SCHEMBL11459169 0.59 KDM4E (0.39) —

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
US-4348518-A Cephalosporins HOFFMANN-LA ROCHE INC. (US) 1982-09-07 — — US disclosed
US-4091211-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 — — US disclosed
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