SCHEMBL28636145

SCHEMBL28636145

CC(C)OC(=O)NN(C(=O)OC(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 1/20 0.45
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL28636147 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MAPTHTTALDH1A1KMT2A
SCHEMBL28413127 0.86 CA12 (0.45) SMN1; SMN2MAPTHTTHPGDNPC1
SCHEMBL24916644 0.76 PDCD1 (0.43) MAPTHTTPDCD1CD274NPC1
SCHEMBL20920028 0.75 HTT (0.42) SMN1; SMN2MAPTHTTALDH1A1KMT2A
SCHEMBL3507290 0.74 LMNA (0.58) SMN1; SMN2HTTALDH1A1KMT2AMEN1
SCHEMBL874377 0.74 TSHR (0.46) SMN1; SMN2MAPTHTTALDH1A1TDP1
SCHEMBL24916641 0.74 ACLY (0.41) SMN1; SMN2MAPTKMT2AMEN1PDCD1
SCHEMBL13328522 0.74 HTT (0.40) SMN1; SMN2MAPTHTTALDH1A1TDP1
SCHEMBL13392286 0.74 HTT (0.43) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL31093971 0.73 HDAC1 (0.53) HTTKMT2AMEN1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248410-B Preparation method of silver-mediated N-aroyl hydrazine compound 湖北工业大学 2023-02-24 CN disclosed
CN-113248410-A Preparation method of silver-mediated N-arylhydrazide compound 湖北工业大学 2021-08-13 CN disclosed