SCHEMBL30213497

SCHEMBL30213497

O=c1ccc2cccnc2[nH]1.[Na]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.51
AXL P30530 1/20 0.48
NUDT1 P36639 1/20 0.48
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
CA1 P00915 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
AURKA O14965 1/20 0.43
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL126973 0.98 DAO (0.53) DAOAXLNUDT1CA12CA9
SCHEMBL29498319 0.98 DAO (0.53) DAOAXLNUDT1CA12CA9
Fluoride SCHEMBL28140380 0.96 DAO (0.51) DAOAXLNUDT1CA12CA9
Hydrochloric Acid SCHEMBL29691659 0.96 DAO (0.51) DAOAXLNUDT1CA12CA9
Charcoal, Activated SCHEMBL7531966 0.96 DAO (0.51) DAOAXLNUDT1CA12CA9
Hydrochloric Acid SCHEMBL7181738 0.96 DAO (0.51) DAOAXLNUDT1CA12CA9
Bromide SCHEMBL2820333 0.96 DAO (0.51) DAOAXLNUDT1CA12CA9
SCHEMBL4516259 0.91 DAO (0.51) DAOAXLNUDT1CA12CA9
Phosphoric Acid SCHEMBL31544068 0.89 DAO (0.50) DAOAXLNUDT1CA12CA9
Phosphoric Acid SCHEMBL29264269 0.89 DAO (0.50) DAOAXLNUDT1CA12CA9

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
CN-110468067-B Bacillus circulans separation and identification method 南京市产品质量监督检验院 2023-01-31 CN disclosed