SCHEMBL6890933

SCHEMBL6890933

NC(=O)c1cc(C(N)=O)cc(S(=O)(=O)N2CCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 3/20 0.55
IL1RN P18510 1/20 0.55
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.46
AKR1C3 P42330 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
SCHEMBL5039031 0.83 GAA (0.97) GAASMN1; SMN2LMNATSHRHTT
SCHEMBL6894140 0.83 GAA (0.51) GAASMN1; SMN2LMNATSHRHTT
SCHEMBL14507610 0.82 GAA (1.00) GAASMN1; SMN2LMNATSHRHTT
SCHEMBL2744764 0.82 ALDH1A1 (0.70) GAASMN1; SMN2MAPTMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL3351627 0.82 GAA (0.50) GAASMN1; SMN2LMNATSHRHTT
SCHEMBL2744997 0.81 USP2 (0.69) GAASMN1; SMN2LMNAMAPTMAPK1
Cyclohexane SCHEMBL8463889 0.77 LCK (0.57) GAASMN1; SMN2LMNATSHRHTT
SCHEMBL3348685 0.77 GLA (0.73) GAASMN1; SMN2LMNATSHRHTT
SCHEMBL27510172 0.74 LCK (0.64) GAASMN1; SMN2LMNATSHRMAPT
SCHEMBL8374211 0.73 KDM4E (0.56) GAALMNATSHRMAPTALDH1A1

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
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed