SCHEMBL7259673

SCHEMBL7259673

CCOc1ccc([N+](=O)[O-])c(N2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
ALDH1A1 P00352 9/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
HTR6 P50406 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5097945 0.87 MAPT (0.59) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL22471135 0.85 MAPT (0.60) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6377084 0.85 LMNA (0.58) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6370911 0.81 MAPT (0.53) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL6370907 0.81 MAPT (0.53) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL22471148 0.81 MAPT (0.62) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL15834179 0.80 MAPT (0.55) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL5552187 0.78 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL311195 0.77 MAPT (0.79) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7259542 0.77 MEN1 (0.46)

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-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed