SCHEMBL8324808

SCHEMBL8324808

O=[N+]([O-])c1ccc(O)cc1N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.69
MAPT P10636 11/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
LMNA P02545 4/20 0.67
POLB P06746 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPK1 P28482 6/20 0.56
TDP1 Q9NUW8 2/20 0.55
ALDH1A3 P47895 1/20 0.55
GAA P10253 2/20 0.54
CTSB P07858 1/20 0.54
AR P10275 1/20 0.54
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL5824515 0.86 MAPT (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL30953903 0.86 MAPT (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL14784645 0.86 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL20598544 0.85 GAA (0.69) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL30501419 0.85 GAA (0.69) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL18347278 0.84 MAPT (0.54) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL22954566 0.84 MAPT (0.60) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL22094933 0.80 MAPT (0.97) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL12684759 0.80 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL3536564 0.80 MAPT (0.97) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed