SCHEMBL8942817

SCHEMBL8942817

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKR1C3 P42330 1/20 0.40
NAMPT P43490 2/20 0.40
LOX P28300 2/20 0.39
HTR6 P50406 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
FAAH O00519 1/20 0.36
PRMT1 Q99873 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL8942652 0.89 PKM (0.44) NAMPTLOXHTR6PKMKMT2A
SCHEMBL8783392 0.84 MEN1 (0.47) GAATP53MAPTTHRBSMN1; SMN2
SCHEMBL8942382 0.79 CYP2C9 (0.47) MAPTKMT2AMEN1KDM4E
SCHEMBL8942712 0.79 PARP14 (0.45) AKR1C3KMT2AMEN1
SCHEMBL8942408 0.74 TNKS (0.39) MAPTAKR1C3RAB9AKMT2AMEN1
SCHEMBL8942465 0.73 L3MBTL1 (0.49) ATMKMT2AMEN1CA1CA2
SCHEMBL8782842 0.73 PKM (0.54) GAATP53SMN1; SMN2AKR1C3NAMPT
SCHEMBL8942753 0.72 PARP1 (0.52) GAAMAPTRAB9AKMT2AMEN1
SCHEMBL8942661 0.71 KMO (0.53) KMT2AMEN1FAAH
SCHEMBL8942585 0.70 MEN1 (0.42) GAASMN1; SMN2RAB9AKMT2AMEN1

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