SCHEMBL8942402

SCHEMBL8942402

NC(=O)NCCCCN(O)C(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPOR P19235 1/20 0.46
AKR1C3 P42330 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TNKS O95271 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL8783008 0.84 LMNA (0.53) AKR1C3ERCC5FEN1HDAC8NPC1
SCHEMBL8942712 0.83 PARP14 (0.45) AKR1C3ERCC5FEN1HDAC8TNKS
SCHEMBL8942429 0.83 PARP10 (0.45) LMNATNKSPARP15PARP14PARP10
SCHEMBL8942408 0.81 TNKS (0.39) AKR1C3ERCC5FEN1HDAC8NPC1
SCHEMBL8942484 0.80 PARP10 (0.50) ERCC5FEN1NPC1PARP10MEN1
SCHEMBL8942679 0.80 MAPT (0.47) NPC1TNKSPARP15PARP14PARP10
SCHEMBL8942661 0.80 KMO (0.53) HDAC8TNKSPARP15PARP14PARP10
SCHEMBL8942507 0.79 KDM4E (0.43) MAPT
SCHEMBL8942753 0.78 PARP1 (0.52) NPC1MEN1KMT2AMAPT
SCHEMBL8942628 0.78 SCN7A (0.43)

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