SCHEMBL6466103

SCHEMBL6466103

NC(=O)CCCC(O)(CCc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.56
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.41
MAPT P10636 4/20 0.40
ASAH1 Q13510 2/20 0.39
MCL1 Q07820 1/20 0.39
ATM Q13315 1/20 0.39
PKM P14618 1/20 0.39
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6463984 0.83 DAGLA (0.40) DAGLARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7042908 0.78 DAGLA (0.47) DAGLARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6467269 0.74 DAGLA (0.61) DAGLARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6466099 0.73 DAGLA (0.53) DAGLARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL12459201 0.72 RAB9A (0.57) DAGLARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL28512292 0.68 RAB9A (0.57) DAGLARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2247603 0.68 RAB9A (0.61) DAGLARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL27701238 0.67 RAB9A (0.56) DAGLARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8060536 0.67 RAB9A (0.51) DAGLARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6635092 0.66 MEN1 (0.51) DAGLARAB9ANPC1SMN1; SMN2KMT2A

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed