SCHEMBL8942652

SCHEMBL8942652

NC(=O)NCCN(O)C(=O)c1cccc(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR6 P50406 3/20 0.41
NAMPT P43490 1/20 0.40
LOX P28300 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
CXCR2 P25025 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL8942817 0.89 GAA (0.42) PKMHTR6NAMPTLOXMEN1
SCHEMBL8782842 0.84 PKM (0.54) PKMHTR2AHTR2CNAMPTLOX
SCHEMBL29280967 0.75 HTR2A (0.68) HTR2AHTR2CALDH1A1CXCR2LMNA
SCHEMBL8942465 0.73 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ALMNA
SCHEMBL8783392 0.73 MEN1 (0.47) PKMNAMPTLOXALDH1A1MAPK1
SCHEMBL8942753 0.72 PARP1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL999837 0.71 CXCR2 (0.57) HTR2AHTR2CALDH1A1CXCR2
SCHEMBL8942585 0.70 MEN1 (0.42) ALDH1A1MEN1KMT2ALMNA
SCHEMBL29280971 0.68 HDAC6 (0.49) PKMHTR6NAMPTALDH1A1MEN1
SCHEMBL8942429 0.67 PARP10 (0.45) ALDH1A1MEN1KMT2ALMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed