SCHEMBL16612384

SCHEMBL16612384

COC(=O)C1CNNC(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL22279768 0.81 BRD4 (0.46) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1026647 0.81 BRD4 (0.46) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28009406 0.81 BRD4 (0.46) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
Acetic Acid Methyl Ester SCHEMBL9151328 0.76 BRD4 (0.42) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11416871 0.76 BRD4 (0.48) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
Propene SCHEMBL7744011 0.74 BRD4 (0.40) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16579361 0.70 CHRNB2 (0.47) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2153275 0.70 BRD4 (0.43) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL872959 0.69
SCHEMBL6937734 0.68 CHRNB2 (0.47) BRD4CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857387-A1 Process for manufacturing 1,6-dihydro-6-oxo-4-pyridazine carboxylic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-08 EP claimed
EP-2857387-A1 Process for manufacturing 1,6-dihydro-6-oxo-4-pyridazine carboxylic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-08 EP disclosed
EP-2857387-A1 Process for manufacturing 1,6-dihydro-6-oxo-4-pyridazine carboxylic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-08 EP disclosed
EP-2857387-A1 Process for manufacturing 1,6-dihydro-6-oxo-4-pyridazine carboxylic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-08 EP disclosed