SCHEMBL9768801

SCHEMBL9768801

O=C(O)N/N=C(/c1cccnc1)C1COCOC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 6/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 1/20 0.42
APP P05067 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KMT2A Q03164 3/20 0.40
PLOD2 O00469 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL9768811 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL9768819 0.84 POLB (0.39) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL9768828 0.84 POLB (0.39) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL9769052 0.79 F7 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL9768803 0.77 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAAMAPTGFER
SCHEMBL9795959 0.71 GAA (0.71) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL9795955 0.71 GAA (0.71) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL20583292 0.71 GAA (0.71) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL9796180 0.69 KDM4E (0.55) SMN1; SMN2NPC1ALDH1A1GAAMAPT
SCHEMBL9796184 0.69 KDM4E (0.55) SMN1; SMN2NPC1ALDH1A1GAAMAPT

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-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US claimed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US disclosed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed