SCHEMBL29258796

SCHEMBL29258796

O=C(/C=C/c1ccncc1)Nc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.69
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CYP19A1 P11511 1/20 0.54
HTT P42858 1/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL30927236 0.88 NAMPT (0.68) NAMPTCA12CA1CA2CA9
SCHEMBL29258225 0.88 NAMPT (0.68) NAMPTCA12CA1CA2CA9
SCHEMBL30927201 0.87 NAMPT (0.69) NAMPTMEN1MAPTKMT2A
SCHEMBL29258100 0.87 NAMPT (0.69) NAMPTMEN1MAPTKMT2A
SCHEMBL29258086 0.86 NAMPT (0.71) NAMPTCA12CA1CA2CA9
SCHEMBL29258286 0.86 MEN1 (0.56) NAMPTCYP19A1HTTMEN1MAPT
SCHEMBL30927215 0.86 MEN1 (0.56) NAMPTCYP19A1HTTMEN1MAPT
SCHEMBL29258194 0.86 NAMPT (0.68) NAMPTHTTMEN1MAPTKMT2A
SCHEMBL30927229 0.86 NAMPT (0.68) NAMPTHTTMEN1MAPTKMT2A
SCHEMBL30927217 0.83 NAMPT (0.69) NAMPTCYP19A1HDAC1HDAC8

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