SCHEMBL4788080

SCHEMBL4788080

CC(C)C(=O)NC(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
TP53 P04637 1/20 0.60
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ANPEP P15144 2/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.54
PPIA P62937 1/20 0.54
EPHX1 P07099 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CFD P00746 1/20 0.51

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
SCHEMBL8760 0.85 KMT2A (0.67) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL23235729 0.84 KMT2A (0.65) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL6033584 0.83 TP53 (0.75) ALDH1A1TP53GAASMN1; SMN2MAPT
SCHEMBL22175600 0.79 KMT2A (0.59) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL24568368 0.79 MAPT (0.65) ALDH1A1TP53SMN1; SMN2MAPTL3MBTL1
SCHEMBL714625 0.79 EPHX1 (0.77) ALDH1A1TP53GAASMN1; SMN2KMT2A
SCHEMBL12252067 0.79 MAPT (0.69) ALDH1A1TP53SMN1; SMN2MAPTL3MBTL1
SCHEMBL11262217 0.79 TP53 (0.64) ALDH1A1TP53GAASMN1; SMN2MAPT
SCHEMBL4788088 0.77 MAPT (0.75) ALDH1A1TP53SMN1; SMN2MAPTL3MBTL1
SCHEMBL9781833 0.77 TP53 (0.66) TP53GAASMN1; SMN2MAPTL3MBTL1

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
WO-2008119773-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed