SCHEMBL2476773

SCHEMBL2476773

CN(CCOc1ccc(N=C=O)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
KDM4E B2RXH2 6/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL2479940 0.92 KDM4E (0.44) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2481800 0.83 NPC1 (0.44) KMT2AMEN1TSHR
SCHEMBL12924998 0.83 HRH3 (0.53) KDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL991770 0.83 PDK2 (0.48) MMP2KDM4EPOLBALDH1A1DRD2
SCHEMBL2480421 0.82 BCHE (0.41) KMT2AMEN1TSHR
SCHEMBL21595690 0.79 DRD2 (0.60) KDM4EPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL2476605 0.79 KDM4E (0.49) MMP2KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL12925007 0.78 KCNH2 (0.43) TSHRDRD2
SCHEMBL7994823 0.78 LTA4H (0.56) KDM4EPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL21595642 0.78 MMP2 (0.67) MMP2KDM4EPOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
EP-2238102-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS Lead Therapeutics, Inc. (US) 2010-10-13 EP disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO disclosed
WO-2009085562-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed