SCHEMBL4638830

SCHEMBL4638830

CC(C)(C)c1ccc(NC(=O)/N=N/C(=O)NCCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
KIF11 P52732 1/20 0.44
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 3/20 0.43
EPHX2 P34913 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TRPV1 Q8NER1 5/20 0.42
PDK1 Q15118 1/20 0.42

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
SCHEMBL598010 0.82 CNR1 (0.66) CNR1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL4638759 0.80 EGFR (0.47) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL4638263 0.79 NR1H4 (0.54) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL4638262 0.79 NR1H4 (0.54) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL4638157 0.77 TSHR (0.51) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL7098017 0.75 NPC1 (0.58) CNR1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL15532876 0.74 CNR1 (0.63) CNR1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL13762059 0.73 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL6789878 0.70 MEN1 (0.51) CNR1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL1950603 0.69 HRH3 (0.49) CNR1RAB9ANPC1SMN1; SMN2HTT

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
EP-1889831-A2 Diazenedicarboxamides as inhibitors of D-alanine: D-alanine ligase (Ddl) University of Ljubljana (SI) 2008-02-20 EP disclosed