SCHEMBL18075995

SCHEMBL18075995

COC1OC(CO)C(O)C(O)C1NC(=O)N(C)N=O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA1 P00915 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ LGALS8 O00214 2/20 0.43
▸ PYGB P11216 1/20 0.42
▸ CD69 Q07108 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL11877144 0.90 KDM4E (0.64) KDM4ELMNACYP2D6CYP2C19CA2
SCHEMBL11881610 0.90 KDM4E (0.64) KDM4ELMNACYP2D6CYP2C19CA2
SCHEMBL11877137 0.90 KDM4E (0.64) KDM4ELMNACYP2D6CYP2C19CA2
SCHEMBL11877654 0.90 KDM4E (0.64) KDM4ELMNACYP2D6CYP2C19CA2
Streptozosin SCHEMBL444089 0.84 LMNA (1.00) KDM4ELMNACYP2D6CYP2C19ALDH1A1
Streptozosin SCHEMBL10262780 0.84 LMNA (1.00) KDM4ELMNACYP2D6CYP2C19ALDH1A1
Streptozosin SCHEMBL2351420 0.84 LMNA (1.00) KDM4ELMNACYP2D6CYP2C19ALDH1A1
Streptozosin SCHEMBL444088 0.84 LMNA (1.00) KDM4ELMNACYP2D6CYP2C19ALDH1A1
Streptozosin SCHEMBL18402590 0.84 LMNA (1.00) KDM4ELMNACYP2D6CYP2C19ALDH1A1
Streptozosin SCHEMBL13840968 0.84 LMNA (1.00) KDM4ELMNACYP2D6CYP2C19ALDH1A1

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
WO-2016142508-A1 COMPOSITION FOR TREATING PANCREATIC NEUROENDOCRINE TUMOURS Centre Léon-Bérard (FR) 2016-09-15 — — WO disclosed
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