SCHEMBL29258173

SCHEMBL29258173

O=C(/C=C/c1ccncc1)Nc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.67
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
EGFR P00533 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MAOB P27338 1/20 0.50

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
SCHEMBL29258235 0.91 NAMPT (0.55) NAMPTCA12CA1CA2CA9
SCHEMBL29258315 0.90 NAMPT (0.57) NAMPTMEN1KMT2AMMP1MMP2
SCHEMBL29258519 0.89 NAMPT (0.67) NAMPTMEN1KMT2A
SCHEMBL29258153 0.89 MEN1 (0.62) NAMPTMEN1KMT2A
SCHEMBL29258274 0.89 NAMPT (0.67) NAMPTCA12CA1CA2CA9
SCHEMBL30927210 0.89 CA12 (0.53) NAMPTCA12CA1CA2CA9
SCHEMBL29258399 0.89 CA12 (0.53) NAMPTCA12CA1CA2CA9
SCHEMBL30927236 0.88 NAMPT (0.68) NAMPTCA12CA1CA2CA9
SCHEMBL29258225 0.88 NAMPT (0.68) NAMPTCA12CA1CA2CA9
SCHEMBL29258650 0.88 NAMPT (0.58) NAMPTMEN1KMT2A

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