SCHEMBL12161341

SCHEMBL12161341

O=C=NCC1CCC(CNC(=O)N(CC2CCC(CN=C=O)CC2)C(=O)NCC2CCC(CN=C=O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTGES O14684 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTGIR P43119 1/20 0.31
▸ EPHX1 P07099 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
SCHEMBL15925834 0.82 ADH1B (0.32) —
SCHEMBL18231655 0.82 TDP1 (0.33) TDP1PTGESPTGIR
SCHEMBL1081546 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1081557 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL44332 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1590056 0.72 — —
SCHEMBL19732912 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7417936 0.71 KMT2A (0.45) EPHX1
SCHEMBL15623965 0.67 ADH1B (0.52) —
SCHEMBL2324444 0.66 KMT2A (0.31) —

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-2383118-A2 Lithographic printing plate precursor, plate making method thereof and polyvalent isocyanate compound Fujifilm Corporation (JP) 2011-11-02 — — EP disclosed
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