SCHEMBL7301238

SCHEMBL7301238

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7300895 0.90 LMNA (0.66) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL10349418 0.80 TP53 (0.56) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL20392523 0.79 RAB9A (0.59) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL234083 0.76 PDE5A (0.57) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL4968797 0.76 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL2390027 0.75 PDE5A (0.72) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL2786880 0.74 TP53 (0.59) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL1136836 0.73 KDM4E (0.66) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL7299471 0.73 MME (0.52) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL6878797 0.72 ALDH1A1 (0.62) RAB9ASMN1; SMN2TP53NPC1POLB

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