SCHEMBL13726844

SCHEMBL13726844

COc1ccccc1Cc1nccc(C(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ NR3C2 P08235 2/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ CHEK2 O96017 1/20 0.44
▸ HTR6 P50406 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PARP14 Q460N5 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ LMNA P02545 2/20 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
SCHEMBL13728773 0.85 P2RX3 (0.45) SMN1; SMN2
SCHEMBL13728292 0.82 HTR2C (0.43) NR3C2CHEK2HTR6AURKARPS6KB1
SCHEMBL13728200 0.78 MEN1 (0.46) TDP1HTR6MEN1KMT2AAURKA
SCHEMBL13726969 0.76 MAOB (0.46) NR3C2AURKARPS6KB1
SCHEMBL5252905 0.74 NR3C2 (0.54) NR3C2HTR6POLBAURKARPS6KB1
SCHEMBL6305112 0.74 NNMT (0.39) ADORA3
SCHEMBL21722444 0.74 TDP1 (0.49) TDP1NR3C2CHEK2MEN1KMT2A
SCHEMBL30006783 0.74 TDP1 (0.49) TDP1NR3C2CHEK2POLBAURKA
SCHEMBL1568380 0.74 CHEK2 (0.49) TDP1NR3C2CHEK2NPSR1PARP14
SCHEMBL13726397 0.73 KCNA5 (0.43) CHEK2KMT2ALMNA

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-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 — — WO disclosed
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