SCHEMBL27944360

SCHEMBL27944360

C/C(=C\c1cncnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
TBXAS1 P24557 12/20 0.45
HCAR2 Q8TDS4 1/20 0.41
AR P10275 1/20 0.36
APEX1 P27695 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
RXRG P48443 1/20 0.35
HTT P42858 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
SCHEMBL7957742 0.77 AKR1C3 (0.63) AKR1C3TBXAS1
SCHEMBL7957744 0.77 AKR1C3 (0.63) AKR1C3TBXAS1
SCHEMBL3629527 0.76 AKR1C3 (0.52) AKR1C3TBXAS1APEX1RXRARXRB
SCHEMBL3629524 0.76 AKR1C3 (0.52) AKR1C3TBXAS1APEX1RXRARXRB
SCHEMBL27224536 0.75 AKR1C3 (0.67) AKR1C3TBXAS1HTT
SCHEMBL7963228 0.75 AKR1C3 (0.67) AKR1C3TBXAS1HTT
SCHEMBL7268646 0.75 AKR1C3 (0.67) AKR1C3TBXAS1HTT
SCHEMBL8746655 0.75 AKR1C3 (0.67) AKR1C3TBXAS1APEX1HTT
SCHEMBL8746653 0.75 AKR1C3 (0.67) AKR1C3TBXAS1APEX1HTT
SCHEMBL2462983 0.75 AKR1C3 (0.82) AKR1C3TBXAS1APEX1HTT

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
CN-104478812-A Pyrimidone compound for treating Lp-PLA2-mediated diseases or illness GLAXO GROUP LTD 2015-04-01 CN disclosed
CN-103347864-A For treating diseases caused by Lp-PLA2Pyrimidone compounds for mediated diseases or conditions GLAXO GROUP LTD 2013-10-09 CN disclosed