SCHEMBL8007714

SCHEMBL8007714

CCOC(=O)/C(=N/OC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
CES1 P23141 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL8007718 1.00 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10442022 0.86 MAPT (0.52) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL28845740 0.82 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL10441814 0.81 KCNJ1 (0.45) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8018403 0.81 TDP1 (0.53) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8018407 0.81 TDP1 (0.53) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6152764 0.79 SMN1; SMN2 (0.61) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL8018548 0.79 SMN1; SMN2 (0.61) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL478613 0.79 CES1 (0.61) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21283556 0.77 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed