SCHEMBL29258154

SCHEMBL29258154

COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccncc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.68
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
MMP1 P03956 2/20 0.54
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
EGFR P00533 1/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 1/20 0.54
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 2/20 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
SCHEMBL29258519 0.89 NAMPT (0.67) NAMPTMAPTALDH1A1MEN1HTT
SCHEMBL30927217 0.89 NAMPT (0.69) NAMPTHDAC1
SCHEMBL29258283 0.89 NAMPT (0.69) NAMPTHDAC1
SCHEMBL29258315 0.88 NAMPT (0.57) NAMPTMMP1MMP2MMP9MAPT
SCHEMBL29258173 0.87 NAMPT (0.67) NAMPTCA12CA1CA2CA9
SCHEMBL29258153 0.87 MEN1 (0.62) NAMPTMAPTMEN1HTTKMT2A
SCHEMBL29258274 0.87 NAMPT (0.67) NAMPTCA12CA1CA2CA9
SCHEMBL29258650 0.85 NAMPT (0.58) NAMPTMAPTMEN1KMT2AHDAC4
SCHEMBL30927200 0.82 NAMPT (0.53) NAMPTMEN1KMT2A
SCHEMBL30927198 0.82 NAMPT (0.55) NAMPTMAPTMEN1HTTKMT2A

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