SCHEMBL6686701

SCHEMBL6686701

CC(=O)c1ccccc1N(C)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.51
ALDH1A1 P00352 5/20 0.50
GAA P10253 4/20 0.50
TSHR P16473 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
FSCN1 Q16658 1/20 0.43
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.36

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
SCHEMBL3930397 0.86 TSPO (0.54) TSPOALDH1A1GAATSHRMAPT
SCHEMBL3048454 0.84 TSPO (0.49) TSPOALDH1A1GAATSHRMAPT
SCHEMBL4213821 0.83 ALDH1A1 (0.72) ALDH1A1GAATSHRMAPTSMN1; SMN2
SCHEMBL12231791 0.81 GAA (0.50) TSPOALDH1A1GAATSHRMAPT
SCHEMBL28608266 0.81 GAA (0.57) TSPOALDH1A1GAATSHRMAPT
SCHEMBL11288670 0.80 GAA (0.50) ALDH1A1GAATSHRMAPTSMN1; SMN2
SCHEMBL6779193 0.80 TSHR (0.43) TSPOALDH1A1GAATSHRMAPT
SCHEMBL15224071 0.78 TSPO (0.55) TSPOALDH1A1GAATSHRMAPT
SCHEMBL5536970 0.78 TSPO (0.55) TSPOALDH1A1GAATSHRMAPT
SCHEMBL4777818 0.77 RECQL (0.53) TSPOALDH1A1GAATSHRMAPT

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-2004087637-A1 PRODUCTION OF N-ALKYLAMIDE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-10-14 WO disclosed