SCHEMBL29258252

SCHEMBL29258252

O=C(C=Cc1ccncc1)Nc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
NAMPT P43490 5/20 0.53
MAPK14 Q16539 1/20 0.53
SENP1 Q9P0U3 2/20 0.52
HTT P42858 1/20 0.52
THRB P10828 1/20 0.52
MAOB P27338 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PLA2G1B P04054 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
SENP2 Q9HC62 1/20 0.51
ROCK2 O75116 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
SCHEMBL29258248 1.00 MLYCD (0.57) MLYCDL3MBTL1NAMPTMAPK14SENP1
SCHEMBL29258167 0.90 NAMPT (0.57) L3MBTL1NAMPTMAOBLMNAMAPT
SCHEMBL29258164 0.90 NAMPT (0.57) L3MBTL1NAMPTMAOBLMNAMAPT
SCHEMBL29258096 0.86 ROCK2 (0.68) NAMPTMAPK14SENP1CYP3A4CYP2D6
SCHEMBL29258099 0.86 ROCK2 (0.68) NAMPTMAPK14SENP1CYP3A4CYP2D6
SCHEMBL29258796 0.83 NAMPT (0.69) L3MBTL1NAMPTHTTTHRBMEN1
SCHEMBL29258281 0.83 NAMPT (0.72) MLYCDNAMPT
SCHEMBL1568282 0.82 MLYCD (0.74) MLYCDL3MBTL1NAMPTMAPK14MEN1
SCHEMBL29258633 0.80 EPHX2 (0.59) NAMPTMAOBCYP3A4CYP2D6CYP2C19
SCHEMBL29258630 0.80 EPHX2 (0.59) NAMPTMAOBCYP3A4CYP2D6CYP2C19

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