SCHEMBL29258798

SCHEMBL29258798

O=S(=O)(NCc1c(Br)cccc1Br)c1ccc(NC(=S)NCc2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.58
CA9 Q16790 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
LSS P48449 1/20 0.52

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
SCHEMBL29258556 0.88 NAMPT (0.61) NAMPTCA9CA1CA2ALDH1A1
SCHEMBL29258140 0.88 NAMPT (0.77) NAMPT
SCHEMBL29258244 0.88 NAMPT (0.60) NAMPTCA9CA1CA2ALDH1A1
SCHEMBL29258176 0.87 NAMPT (0.62) NAMPTCA9CA1CA2ALDH1A1
SCHEMBL29258266 0.86 NAMPT (0.65) NAMPTCA9CA1CA2ALDH1A1
SCHEMBL29258122 0.85 NAMPT (0.62) NAMPTCA9CA1CA2LSS
SCHEMBL29258168 0.84 NAMPT (0.64) NAMPTCA9CA1CA2
SCHEMBL29258651 0.84 NAMPT (0.63) NAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL29258126 0.82 NAMPT (0.67) NAMPTCA9CA1CA2ALDH1A1
SCHEMBL29258262 0.81 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