SCHEMBL2852145

SCHEMBL2852145

Cc1nc(C(=O)C(=O)c2c[nH]c(C)n2)c[nH]1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.32
DAO P14920 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL1040746 0.86 NOTUM (0.32) NOTUMDAOHCAR2
SCHEMBL170375 0.84
SCHEMBL1204641 0.84
SCHEMBL3861670 0.84
Water SCHEMBL2643978 0.82 HCAR2 (0.41) NOTUMDAOHCAR2
SCHEMBL4439651 0.82
Hydrochloric Acid SCHEMBL4575106 0.80
SCHEMBL692975 0.79 MAPK1 (0.43)
SCHEMBL13610840 0.79 GABRP (0.33)
SCHEMBL17321509 0.79 KDM4E (0.33)

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-2010121174-A2 CHEMILUMINESCENT ENZYME ASSAY METHOD AND COMPOUNDS LEE JI HOON (US) 2010-10-21 WO claimed