SCHEMBL29258167

SCHEMBL29258167

O=C(C=Cc1ccncc1)Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.57
MAOB P27338 1/20 0.57
HDAC1 Q13547 5/20 0.54
HDAC3 O15379 3/20 0.54
HDAC2 Q92769 3/20 0.54
NCOR2 Q9Y618 2/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
KDM1A O60341 2/20 0.50
HIF1A Q16665 1/20 0.50
EPAS1 Q99814 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL29258164 1.00 NAMPT (0.57) NAMPTMAOBHDAC1HDAC3HDAC2
SCHEMBL29258248 0.90 MLYCD (0.57) NAMPTMAOBLMNAMAPTCA12
SCHEMBL29258252 0.90 MLYCD (0.57) NAMPTMAOBLMNAMAPTCA12
SCHEMBL29258128 0.89 NAMPT (0.64) NAMPTHDAC1HDAC3HDAC2NCOR2
SCHEMBL29258125 0.89 NAMPT (0.64) NAMPTHDAC1HDAC3HDAC2NCOR2
SCHEMBL29258630 0.83 EPHX2 (0.59) NAMPTMAOBEPHX2
SCHEMBL29258633 0.83 EPHX2 (0.59) NAMPTMAOBEPHX2
SCHEMBL29258285 0.82 NAMPT (0.85) NAMPT
SCHEMBL29258099 0.81 ROCK2 (0.68) NAMPT
SCHEMBL29258096 0.81 ROCK2 (0.68) NAMPT

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