SCHEMBL6270700

SCHEMBL6270700

CCCN1C=CCC(C(N)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.33
KDM2B Q8NHM5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 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
SCHEMBL6268314 0.86 SMN1; SMN2 (0.42) BCHESMN1; SMN2LMNAGAAALDH1A1
SCHEMBL6268319 0.85 GAA (0.31) SMN1; SMN2GAA
SCHEMBL6268517 0.82 MAPK1 (0.30) MAPK1
SCHEMBL6271775 0.82 BCHE (0.31) BCHE
SCHEMBL5582045 0.77 SMN1; SMN2 (0.33) BCHESMN1; SMN2GAAALDH1A1
SCHEMBL5871323 0.73
SCHEMBL6267871 0.69 KMT2A (0.31) SMN1; SMN2
Hydrochloric Acid SCHEMBL28336872 0.67 BCHE (0.50) BCHESMN1; SMN2LMNAGAAKDM2B
Urea SCHEMBL28287663 0.66 CA1 (0.31)
SCHEMBL4171042 0.65 CA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988059-B1 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LTD (GB) 2005-12-07 EP disclosed
EP-1468698-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2004-10-20 EP disclosed