SCHEMBL5408573

SCHEMBL5408573

O=C(O)N(O)N1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.31

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
Ethylenediamine SCHEMBL7125278 0.89 KDM4E (0.31) KDM4E
SCHEMBL4132081 0.77 CA12 (0.39) CA12CA1CA9KDM4E
SCHEMBL4693149 0.77 KDM4E (0.30) KDM4E
SCHEMBL8768383 0.73 CA12 (0.32) CA12CA1CA9KDM4E
Acetic Acid SCHEMBL3486649 0.70 FFAR3 (0.35) CA12CA1CA9
SCHEMBL4426930 0.69 ATM (0.47)
SCHEMBL11711601 0.66 NPSR1 (0.39) CA12CA1CA9
SCHEMBL8629433 0.66 CRBN (0.32)
SCHEMBL1769618 0.65 HTT (0.37) KDM4E
SCHEMBL8736481 0.61 ALDH1A1 (0.38)

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
WO-2021043906-A1 METHOD FOR DIAGNOSING OLD SKIN L'OREAL (FR) 2021-03-11 WO disclosed
US-7217575-B2 Avidin derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2007-05-15 US disclosed
US-20040191832-A1 Avidin derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO., LTD. 2004-09-30 US disclosed
US-6632929-B1 Conjugate with 4'-hydroxyazobenzene-2-carboxylic acid derivative; change from red to yellow upon binding biotin YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2003-10-14 US disclosed
EP-1252186-A2 USE OF NEUREGULIN-BETA AS AN INDICATOR AND/OR TARGET ProteoSys AG (DE) 2002-10-30 EP disclosed
WO-2001058948-A2 USE OF NEUREGULIN-β AS AN INDICATOR AND/OR TARGET PROTEOSYS AG (DE) 2001-08-16 WO disclosed