SCHEMBL5609833

SCHEMBL5609833

Nc1cc(Cl)cc(N2CCCC(O)C2)c1.O=[N+]([O-])c1cc(Cl)cc(N2CCCC(O)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.42
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ SMARCA4 P51532 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32

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
SCHEMBL5615724 0.93 LMNA (0.46) LMNAALDH1A1MAPTMAPK1NOTUM
SCHEMBL5591766 0.88 NOTUM (0.44) LMNAALDH1A1NOTUMMAPK13MAPK12
SCHEMBL5598315 0.82 MAPT (0.50) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL22032842 0.77 ALDH1A1 (0.48) LMNAALDH1A1MAPTMAPK1NOTUM
SCHEMBL13421452 0.76 LMNA (0.43) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL2018527 0.74 MAPT (0.61) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL16651521 0.74 MAPT (0.61) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL5598235 0.74 MAPT (0.59) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL5065287 0.71 LMNA (0.68) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL22033127 0.71 NOTUM (0.45) LMNAALDH1A1MAPTNOTUML3MBTL1

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-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
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