SCHEMBL6536397

SCHEMBL6536397

NC(=O)CC(N)=O.NCCNCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA6 P23280 5/20 0.59
CA7 P43166 5/20 0.59
CA9 Q16790 5/20 0.59
CA14 Q9ULX7 5/20 0.59
CA5B Q9Y2D0 5/20 0.59
MEN1 O00255 2/20 0.59
RECQL P46063 2/20 0.59
KMT2A Q03164 2/20 0.59
CA2 P00918 4/20 0.56
CA4 P22748 4/20 0.56
CA5A P35218 4/20 0.56
LMNA P02545 3/20 0.56
CA3 P07451 3/20 0.56
ALOX15 P16050 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CA1 P00915 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 1/20 0.53

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
Trientine SCHEMBL6536651 0.97 CA12 (0.61) CA12CA6CA7CA9CA14
SCHEMBL6536746 0.97 CA12 (0.61) CA12CA6CA7CA9CA14
Urea SCHEMBL1662263 0.88 CA12 (0.67) CA12CA6CA7CA9CA14
SCHEMBL6536892 0.86 CA12 (0.56) CA12CA6CA7CA9CA14
Succinamide SCHEMBL6536887 0.86 CA12 (0.56) CA12CA6CA7CA9CA14
Carbamic Acid SCHEMBL10380516 0.85 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL9487188 0.85 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL6536558 0.85 MAOA (0.72) CA12CA6CA7CA9CA14
Trientine SCHEMBL6536757 0.83 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL6536693 0.83 CA12 (0.58) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677427-B1 REACTING AT LEAST ONE DIESTER AND AT LEAST ONE POLYAMINE IN PRESENCE OF A HYDROLYTIC ENZYME TO PREPARE POLYAMIDE HERCULES INCORPORATED 2004-01-13 US claimed
EP-1290211-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2003-03-12 EP claimed
WO-2001096588-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2001-12-20 WO claimed
CN-102295571-B The method of methyl alcohol or ammonioformaldehyde oxidative synthesis acid amides GUO JIANXING (CN) 2016-04-27 CN disclosed
CN-102295571-A Method for synthesis of amide through ammoxidation of methanol or formaldehyde 2011-12-28 CN disclosed
US-6677427-B1 REACTING AT LEAST ONE DIESTER AND AT LEAST ONE POLYAMINE IN PRESENCE OF A HYDROLYTIC ENZYME TO PREPARE POLYAMIDE HERCULES INCORPORATED 2004-01-13 US disclosed
EP-1290211-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2003-03-12 EP disclosed
WO-2001096588-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2001-12-20 WO disclosed