SCHEMBL16898614

SCHEMBL16898614

[N-]=[N+]=NCCOCCN1CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 1/20 0.35
▸ KCNA5 P22460 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ TEAD3 Q99594 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ DRD3 P35462 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL16898524 0.98 MGMT (0.36) MGMTKCNA5POLBTEAD3ALDH1A1
SCHEMBL16898349 0.98 MGMT (0.36) MGMTKCNA5POLBTEAD3ALDH1A1
SCHEMBL16898784 0.98 MGMT (0.36) MGMTKCNA5POLBTEAD3ALDH1A1
SCHEMBL16898643 0.98 MGMT (0.36) MGMTKCNA5POLBTEAD3ALDH1A1
SCHEMBL16898595 0.87 CRBN (0.32) MGMT
SCHEMBL31299552 0.84 MGMT (0.41) MGMTPOLBALDH1A1GAAKDM4E
SCHEMBL16898492 0.81 USP2 (0.39) —
SCHEMBL16899889 0.80 MMP2 (0.44) MGMTTEAD3DRD3
SCHEMBL16899887 0.80 MMP2 (0.44) MGMTTEAD3DRD3
SCHEMBL16899922 0.80 MMP2 (0.44) MGMTTEAD3DRD3

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-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 — — WO disclosed
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