SCHEMBL10801047

SCHEMBL10801047

O=C(Cn1cc(I)cnc1=O)c1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.37
PTK2 Q05397 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
POLB P06746 1/20 0.30
GRIN2B Q13224 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
SCHEMBL10803043 0.84 TRPA1 (0.38) TRPA1CYP3A4GPR52SMN1; SMN2PTPN1
SCHEMBL10738569 0.65 KMT2A (0.51) SMN1; SMN2POLB
SCHEMBL10733734 0.64 SMN1; SMN2 (0.48) SMN1; SMN2POLBGRIN2B
SCHEMBL15988633 0.64 TRPA1 (0.69) TRPA1CYP3A4PTK2GPR52PTPN1
SCHEMBL11160237 0.61 TSHR (0.41) CYP3A4POLB
SCHEMBL2379273 0.61
SCHEMBL6627157 0.61
SCHEMBL11849341 0.61
SCHEMBL12430461 0.61
SCHEMBL7142769 0.61

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044705-B1 SUBSTITUTED PYRIMIDIN-2-ONES, THE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A METHOD THEREFOR GLAXO GROUP LIMITED (GB) 1984-11-14 EP claimed
EP-0044705-A1 Substituted pyrimidin-2-ones, the salts thereof, processes for their preparation, pharmaceutical compositions containing them and a method therefor GLAXO GROUP LIMITED (GB) 1982-01-27 EP claimed
US-4650800-A Substituted pyrimidin-2-ones, the salts thereof, pharmaceutical compositions containing them and a method therefor GLAXO GROUP LIMITED 1987-03-17 US disclosed
EP-0044705-B1 SUBSTITUTED PYRIMIDIN-2-ONES, THE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A METHOD THEREFOR GLAXO GROUP LIMITED (GB) 1984-11-14 EP disclosed
EP-0044705-A1 Substituted pyrimidin-2-ones, the salts thereof, processes for their preparation, pharmaceutical compositions containing them and a method therefor GLAXO GROUP LIMITED (GB) 1982-01-27 EP disclosed