SCHEMBL5813249

SCHEMBL5813249

NC(=O)CCc1cccc(Nc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.60
SIRT2 Q8IXJ6 1/20 0.53
MAPT P10636 5/20 0.51
GAA P10253 3/20 0.51
FFAR1 O14842 3/20 0.50
RHOA P61586 1/20 0.50
AURKA O14965 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
NEK2 P51955 1/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
AR P10275 1/20 0.47
PRMT1 Q99873 1/20 0.47
GFER P55789 2/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5801699 0.85 MAPT (0.55) SIRT2MAPTGAAFFAR1HTT
SCHEMBL5777508 0.84 ITGB3 (0.56) SIRT1MAPTGAAFFAR1ITGB3
SCHEMBL5491571 0.83 SIRT1 (0.60) SIRT1SIRT2FFAR1RHOAAURKA
SCHEMBL28057053 0.82 AURKA (0.64) SIRT1SIRT2FFAR1RHOAAURKA
SCHEMBL2593 0.78 KEAP1 (0.67) MAPTFFAR1HTTALDH1A1PRMT1
SCHEMBL18772373 0.78 FFAR1 (0.52) FFAR1PRMT1
SCHEMBL3743153 0.77 FFAR1 (0.59) SIRT1MAPTFFAR1RHOAITGB3
SCHEMBL28671968 0.77 MAPT (0.53) SIRT2MAPTGAAFFAR1HTT
Hydrochloric Acid SCHEMBL3308277 0.77 KEAP1 (0.64) MAPTFFAR1HTTALDH1A1PRMT1
Ammonia Solution, Strong SCHEMBL10416110 0.77 KEAP1 (0.64) MAPTFFAR1HTTALDH1A1PRMT1

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-2006094800-A2 CASCADE REACTION PROCESS SYNTHON B.V. (NL) 2006-09-14 WO disclosed