SCHEMBL6697526

SCHEMBL6697526

COc1ccc(N2C(=O)C(C)N(c3ccc(N4CCOCC4)cc3)C2=S)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GFER P55789 1/20 0.45
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL6705000 0.85 MAPT (0.61) MAPTLMNAALDH1A1MAPK1SLC6A9
SCHEMBL6702569 0.85 MAPT (0.49) MAPTLMNAALDH1A1MAPK1SLC6A9
SCHEMBL6703990 0.82 ALDH1A1 (0.51) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL6701909 0.80 MAPT (0.59) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL6704313 0.78 AKR1C3 (0.50) MAPTALDH1A1SMN1; SMN2MAPK1SLC6A9
SCHEMBL12643176 0.77 MAPT (0.74) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL6628215 0.76 LMNA (0.49) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL6703684 0.75 ALDH1A1 (0.46) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL6627881 0.74 ALDH1A1 (0.45) MAPTLMNAALDH1A1GAAALOX15
SCHEMBL6699680 0.73 ALDH1A1 (0.54) MAPTLMNAALDH1A1MAPK1GAA

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
US-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed