SCHEMBL8312209

SCHEMBL8312209

COC(=O)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 3/20 0.56
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 4/20 0.47
NOTUM Q6P988 1/20 0.46

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
SCHEMBL6529147 0.87 MAPT (0.68) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL2041681 0.85 MAPT (0.79) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3958300 0.85 MAPT (0.65) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3534109 0.81 LMNA (0.71) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL30784585 0.81 MAPT (0.72) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3536097 0.79 LMNA (0.73) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3958592 0.79 MAPT (0.73) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3435998 0.78 MAPT (0.74) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL2269393 0.77 MAPT (0.55) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL2952969 0.76 ALDH1A1 (0.67) MAPTLMNAALDH1A1TDP1MAPK1

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-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed