SCHEMBL7978062

SCHEMBL7978062

CC(=O)Oc1ccc2oc(CC(C)(C)C)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
FLT3 P36888 1/20 0.48
GAPDH P04406 4/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 3/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 2/20 0.44
ACLY P53396 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
ACSL1 P33121 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE3B Q13370 1/20 0.40

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
SCHEMBL7984144 0.82 KDM4E (0.47) GAAKDM4EPOLBTDP1ACLY
SCHEMBL7997955 0.81 ACLY (0.42) KDM4EGLAPOLBTDP1ACLY
SCHEMBL7972175 0.77 GAA (0.59) GAAKDM4EPOLBTDP1ACLY
SCHEMBL7997880 0.75 ESR1 (0.50) GAAKDM4EPOLBACLYMEN1
SCHEMBL5733947 0.74 GAA (0.75) GAAKDM4EPOLBTDP1ACLY
SCHEMBL23176649 0.73 KDM4E (0.53) GAAKDM4EPOLBACLYNPC1
SCHEMBL5734523 0.72 ACLY (0.44) GAAKDM4EPOLBACLYMEN1
SCHEMBL6785675 0.72 GAA (0.44) GAAKDM4EACLYMEN1NPC1
SCHEMBL6782970 0.72 MAOA (0.56) GAAKDM4EACLYMEN1NPC1
SCHEMBL9200265 0.72 GAA (0.41) GAAPOLBMEN1NPC1RAB9A

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
WO-2001055141-A1 AZINE DERIVATIVES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed