SCHEMBL13970853

SCHEMBL13970853

[N-]=[N+]=Nc1ccc(C(=O)N/C(=C\c2cccnc2)C(=O)NCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ GAA P10253 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 2/20 0.42

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
SCHEMBL13668376 0.91 KDM4E (0.54) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL13970852 0.84 GAA (0.49) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL847778 0.82 KDM4E (0.58) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL14318660 0.82 KDM4E (0.58) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL13668372 0.79 ALDH1A1 (0.42) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL14340695 0.79 HDAC3 (0.46) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL13668380 0.78 ALDH1A1 (0.42) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL13668373 0.77 SMN1; SMN2 (0.42) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL14340697 0.76 GAA (0.41) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL13668377 0.75 KMT2A (0.48) KDM4EGAAALDH1A1SMN1; SMN2MEN1

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-2011857-A1 METHOD OF PRODUCING CELL CULTURE CONTAINER Toyo Gosei Co., Ltd. (JP) 2009-01-07 — — EP disclosed
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