SCHEMBL11539873

SCHEMBL11539873

CC(C)OC(=O)C(=O)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
PKM P14618 2/20 0.64
SMN1; SMN2 Q16637 7/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 3/20 0.51
LMNA P02545 1/20 0.51
CTSK P43235 1/20 0.48
ALOX12 P18054 1/20 0.48
STAT3 P40763 1/20 0.48
STAT1 P42224 1/20 0.48
F2 P00734 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL11537131 0.85 NPC1 (0.57) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL11794850 0.84 NPC1 (0.58) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL11538755 0.83 NPC1 (0.72) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL8752173 0.83 ADRA1A (0.55) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL13588766 0.82 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL8752193 0.82 NPC1 (0.49) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL9521647 0.82 NPC1 (0.49) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL30565139 0.79 RAB9A (1.00) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL11538222 0.78 NPC1 (0.64) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL11539536 0.77 NPC1 (0.62) NPC1RAB9APKMSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4054661-A Pyridyl oxamic acid derivatives and use in the prevention of allergic reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US claimed
US-4160100-A OXAMIC ACID DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1979-07-03 US disclosed
US-4054657-A Pyrimidinyl oxamic acids and esters, and compositions and methods for the suppression of allergic manifestations AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054661-A Pyridyl oxamic acid derivatives and use in the prevention of allergic reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054666-A Compositions and methods of treating immediate hypersensitivity reactions with thiazolyl oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4036837-A 2 Alkoxyoxamoyl-pyrazines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 US disclosed
US-3966965-A Oxamic acid derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-29 US disclosed