SCHEMBL4391001

SCHEMBL4391001

CC(=O)NCCNC(=O)CN

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.52
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.44
ADRA1A P35348 1/20 0.40
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F13A1 P00488 1/20 0.36
CNR1 P21554 1/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23710508 0.89 HIF1A (0.70) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL3074874 0.87 CA2 (0.44) PAOXKDM4EALDH1A1CA1CA2
SCHEMBL12799430 0.82 KDM4E (0.52) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL19308998 0.82 PAOX (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL8107 0.81 KDM4E (0.71) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL24894923 0.80 CA2 (0.44) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL12655123 0.80
SCHEMBL18160754 0.79 CA2 (0.40) KDM4EALDH1A1CA1CA2MEN1
SCHEMBL17546697 0.78 PAOX (0.61) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL10488313 0.77 KDM4E (0.52) PAOXKDM4EMAPK1HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963357-B1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS SALVAT LAB SA (ES) 2009-12-09 EP disclosed