SCHEMBL9412936

SCHEMBL9412936

C1=NCCN1c1cccnn1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.35
TRPV1 Q8NER1 2/20 0.32
GOT1 P17174 1/20 0.31
RIPK1 Q13546 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
SCHEMBL5256809 0.76 PLD1 (0.46)
SCHEMBL2102567 0.69 SLC6A7 (0.47) SLC6A7TRPV1RIPK1
SCHEMBL31005942 0.68 SLC6A7 (0.49) SLC6A7TRPV1RIPK1
SCHEMBL12607645 0.68 SLC6A7 (0.49) SLC6A7TRPV1RIPK1
SCHEMBL10757283 0.68 ALDH1A1 (0.39)
SCHEMBL22159423 0.68 PLD1 (0.39) SLC6A7TRPV1
SCHEMBL1834829 0.67 CYP1A2 (0.50) SLC6A7TRPV1RIPK1
SCHEMBL9375555 0.66 KDM4E (0.38)
SCHEMBL6272216 0.66 SIGMAR1 (0.41)
SCHEMBL105023 0.66 SIGMAR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595011-A1 Imidazolinyl-pyridazides, their use as herbicides BAYER AG (DE) 1994-05-04 EP claimed
JP-6228135-A None JP disclosed
JP-H06228135-A IMIDAZOLINYL-PYRIDAZINES BAYER AG 1994-08-16 JP disclosed
EP-0595011-A1 Imidazolinyl-pyridazides, their use as herbicides BAYER AG (DE) 1994-05-04 EP disclosed
EP-0595011-A1 Imidazolinyl-pyridazides, their use as herbicides BAYER AG (DE) 1994-05-04 EP disclosed
EP-0595011-A1 Imidazolinyl-pyridazides, their use as herbicides BAYER AG (DE) 1994-05-04 EP disclosed