SCHEMBL3873056

SCHEMBL3873056

CN[C@@H](C(=O)C(=O)NN=O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL17537229 0.73 KDM4E (0.48) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL875592 0.73 PDE4A (0.54) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL9169459 0.72 KDM4E (0.40) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL13010838 0.72 KDM4E (0.47) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL13010836 0.72 KDM4E (0.47) KDM4ELMNAL3MBTL1PDE4ATDP1
Mannitol SCHEMBL3017327 0.63 LMNA (0.69) KDM4ELMNAL3MBTL1PDE4ATDP1
Mannitol SCHEMBL7927609 0.63 LMNA (0.69) KDM4ELMNAL3MBTL1PDE4ATDP1
Mannitol SCHEMBL8472459 0.63 LMNA (0.69) KDM4ELMNAL3MBTL1PDE4ATDP1
Mannitol SCHEMBL11031577 0.63 LMNA (0.69) KDM4ELMNAL3MBTL1PDE4ATDP1
Sorbitol SCHEMBL29468856 0.63 LMNA (0.69) KDM4ELMNAL3MBTL1PDE4ATDP1

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
US-7560230-B2 Method for determining susceptibility of tumor to treatment with anti-neoplastic agent THRESHOLD PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-20060172305-A1 Method for determining susceptibility of tumor to treatment with anti-neoplastic agent ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2006-08-03 US disclosed