SCHEMBL13925664

SCHEMBL13925664

COCCCNc1nc(NCCCOC)c(/N=N/c2nn(-c3ccc(C(=O)CN)cc3)cc2C#N)c(C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ EGLN1 Q9GZT9 3/20 0.33
▸ PKM P14618 1/20 0.32
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 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
SCHEMBL13610035 0.81 AR (0.34) ALDH1A1
SCHEMBL13925386 0.78 KDM4E (0.32) KDM4EALDH1A1RXFP1PKM
SCHEMBL13925668 0.78 KDM4E (0.32) KDM4EALDH1A1RXFP1PKM
SCHEMBL13610059 0.76 — —
SCHEMBL13610050 0.75 — —
SCHEMBL13610047 0.75 MAPT (0.34) KDM4EALDH1A1PKM
SCHEMBL13925663 0.74 LMNA (0.30) —
SCHEMBL13925547 0.74 KDM4E (0.33) CFTRKDM4EALDH1A1RXFP1PKM
SCHEMBL11974217 0.73 KDM4E (0.37) CFTRKDM4EALDH1A1RXFP1PKM
SCHEMBL13925670 0.72 ALDH1A1 (0.37) KDM4EALDH1A1PKM

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-2039725-A2 Azo pigment and pigment dispersion FUJIFILM Corporation (JP) 2009-03-25 — — EP disclosed
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