SCHEMBL13018296

SCHEMBL13018296

CCNC(=O)C1=CC=CNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BCHE P06276 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
OPRD1 P41143 3/20 0.31
OPRM1 P35372 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL12804920 0.87 HPGD (0.38) MMP1MMP2MMP3MMP9KMT2A
SCHEMBL5761393 0.82 CTSK (0.48)
SCHEMBL5660573 0.80 HDAC2 (0.31) HDAC6
SCHEMBL4722306 0.72
SCHEMBL3391017 0.72 KDM5B (0.33)
SCHEMBL14327642 0.69
SCHEMBL22411680 0.68
SCHEMBL25043922 0.67 CHRM3 (0.59) KMT2AALOX15HDAC4HDAC1HDAC6
SCHEMBL14045421 0.66 FUCA1 (0.35) MMP1MMP2MMP3MMP9MMP8
SCHEMBL3515968 0.63 MMP1 (0.32) MMP1MMP2MMP3MMP9MMP8

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-2266622-A2 Prodrugs containing novel bio-cleavable linkers Piramal Life Sciences Limited (IN) 2010-12-29 EP disclosed