SCHEMBL6977707

SCHEMBL6977707

COc1ccc([N+](=O)[O-])cc1N1CCN(c2ccccc2C=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
MAPK1 P28482 4/20 0.62
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TDP1 Q9NUW8 3/20 0.57
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.51
SLC6A5 Q9Y345 1/20 0.50
HTR1A P08908 3/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR6 P50406 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2389164 0.82 ALDH1A1 (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1846738 0.81 ALDH1A1 (0.57) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4865184 0.81 HTR6 (0.62) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL2390332 0.80 ALDH1A1 (0.68) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL6975324 0.80 ALDH1A1 (0.48) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1849303 0.80 TDP1 (0.61) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL2390066 0.79 ALDH1A1 (0.60) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL21644501 0.78 ALDH1A1 (0.54) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL283237 0.77 ALDH1A1 (0.60) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL520263 0.77 SLC6A5 (0.61) MAPTALDH1A1MAPK1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP disclosed
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed