SCHEMBL29258274

SCHEMBL29258274

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.67
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HTT P42858 1/20 0.62
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.52
POLB P06746 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
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL29258197 0.91 KMT2A (0.56) NAMPTMEN1KMT2AKDM4EHTT
SCHEMBL29258315 0.90 NAMPT (0.57) NAMPTMEN1KMT2AKDM4EHTT
SCHEMBL29258519 0.89 NAMPT (0.67) NAMPTMEN1KMT2AKDM4EHTT
SCHEMBL29258153 0.89 MEN1 (0.62) NAMPTMEN1KMT2AKDM4EHTT
SCHEMBL29258173 0.89 NAMPT (0.67) NAMPTMEN1KMT2ACA12CA1
SCHEMBL30927198 0.89 NAMPT (0.55) NAMPTMEN1KMT2AKDM4EHTT
SCHEMBL29258516 0.89 NAMPT (0.55) NAMPTMEN1KMT2AKDM4EHTT
SCHEMBL30927229 0.88 NAMPT (0.68) NAMPTMEN1KMT2AKDM4EHTT
SCHEMBL29258194 0.88 NAMPT (0.68) NAMPTMEN1KMT2AKDM4EHTT
SCHEMBL29258650 0.88 NAMPT (0.58) NAMPTMEN1KMT2AKDM4ESMN1; SMN2

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