SCHEMBL29258111

SCHEMBL29258111

O=S(=O)(NCc1ccccc1F)c1ccc(NC(=S)NCc2ccncc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.79
CA9 Q16790 2/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
LSS P48449 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL29258176 0.88 NAMPT (0.62) NAMPTCA9CA1CA2ALDH1A1
SCHEMBL20379207 0.88 NAMPT (1.00) NAMPT
SCHEMBL29258331 0.88 NAMPT (0.68) NAMPTALDH1A1MAPT
SCHEMBL29258280 0.88 NAMPT (0.80) NAMPTALDH1A1MAPT
SCHEMBL29258556 0.88 NAMPT (0.61) NAMPTCA9CA1CA2LSS
SCHEMBL29258470 0.88 NAMPT (0.64) NAMPTCA9ALDH1A1MAPT
SCHEMBL29258259 0.88 NAMPT (0.79) NAMPTCA9CA1CA2LSS
SCHEMBL29258204 0.87 NAMPT (0.80) NAMPTCA9CA1CA2LSS
SCHEMBL29258574 0.85 NAMPT (0.80) NAMPTALDH1A1
SCHEMBL29258262 0.85 NAMPT (0.78) NAMPTCA9CA1CA2ALDH1A1

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-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN claimed
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN disclosed