SCHEMBL7757269

SCHEMBL7757269

CC(C)=NN=C(C(C)=NO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ATM Q13315 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 2/20 0.35
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5265634 0.83 GAA (0.54) GAACYP2C19ALDH1A1HPGDGFER
SCHEMBL5265637 0.83 GAA (0.54) GAACYP2C19ALDH1A1HPGDGFER
SCHEMBL7760451 0.78 GAA (0.48) GAACYP2C19ALDH1A1HPGDGFER
SCHEMBL7760450 0.78 GAA (0.48) GAACYP2C19ALDH1A1HPGDGFER
SCHEMBL5597826 0.74 GAA (0.41) GAACYP2C19ALDH1A1HPGDGFER
SCHEMBL8460844 0.74 GAA (0.41) GAACYP2C19ALDH1A1HPGDGFER
SCHEMBL17973397 0.72 SMN1; SMN2 (0.50) GAACYP2C19ALDH1A1HPGDHSD17B10
SCHEMBL6292707 0.72 GAA (0.39) GAACYP2C19ALDH1A1HPGDGFER
SCHEMBL21239899 0.72 FURIN (0.50) GAACYP2C19ALDH1A1CES2CES1
SCHEMBL189919 0.70 GAA (0.65) GAACYP2C19ALDH1A1HPGDGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873305-B1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AG (DE) 2001-03-28 EP disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed