SCHEMBL29258197

SCHEMBL29258197

O=C(/C=C/c1ccncc1)Nc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
NAMPT P43490 10/20 0.55
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL29258194 0.91 NAMPT (0.68) KMT2AMEN1KDM4EHTTNAMPT
SCHEMBL30927229 0.91 NAMPT (0.68) KMT2AMEN1KDM4EHTTNAMPT
SCHEMBL29258274 0.91 NAMPT (0.67) KMT2AMEN1KDM4EHTTCA12
SCHEMBL29258361 0.90 MEN1 (0.56) KMT2AMEN1KDM4EHTTCA12
SCHEMBL30927198 0.88 NAMPT (0.55) KMT2AMEN1KDM4EHTTNAMPT
SCHEMBL29258516 0.88 NAMPT (0.55) KMT2AMEN1KDM4EHTTNAMPT
SCHEMBL29258235 0.88 NAMPT (0.55) KMT2AMEN1KDM4EHTTCA12
SCHEMBL30927210 0.86 CA12 (0.53) KMT2AMEN1KDM4EHTTCA12
SCHEMBL29258399 0.86 CA12 (0.53) KMT2AMEN1KDM4EHTTCA12
SCHEMBL29258315 0.85 NAMPT (0.57) KMT2AMEN1KDM4EHTTNAMPT

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