SCHEMBL7300895

SCHEMBL7300895

C=C(Cc1ccccc1)C(=O)Nc1nc(CC(=O)OCC)cs1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66
HSD17B10 Q99714 1/20 0.64
ALDH1A1 P00352 6/20 0.64
NPC1 O15118 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 2/20 0.62
HTT P42858 1/20 0.62
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
ESR2 Q92731 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL7301238 0.90 RAB9A (0.54) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL1340139 0.82 SMN1; SMN2 (0.70) LMNATP53ALDH1A1NPC1SMN1; SMN2
SCHEMBL27751166 0.82 LMNA (0.69) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL1341401 0.80 SMN1; SMN2 (0.70) LMNATP53ALDH1A1NPC1SMN1; SMN2
SCHEMBL7308749 0.79 LMNA (0.64) LMNATP53HSD17B10ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7304548 0.78 LMNA (0.62) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL2753912 0.78 LMNA (0.69) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL6220893 0.77 MAPT (0.74) LMNATP53ALDH1A1NPC1SMN1; SMN2
SCHEMBL7930533 0.77 GAA (0.77) LMNATP53ALDH1A1SMN1; SMN2HTT
SCHEMBL11368738 0.76 SMN1; SMN2 (0.72) LMNATP53ALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636630-B1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON SPA (IT) 1999-04-28 EP disclosed
US-5438046-A Enzyme inhibitors ZAMBON GROUP S.P.A. (IT) 1995-08-01 US disclosed
EP-0636630-A1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON GROUP S.p.A. (IT) 1995-02-01 EP disclosed