SCHEMBL6136662

SCHEMBL6136662

CCC(NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 3/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.47
GAA P10253 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
SCHEMBL6136656 1.00 SMN1; SMN2 (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL4988824 0.86 SMN1; SMN2 (0.62) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL6136702 0.86 SMN1; SMN2 (0.62) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL4988804 0.86 SMN1; SMN2 (0.62) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL6136476 0.85 KMT2A (0.61) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL20514959 0.85 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL20514958 0.85 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL6136285 0.84 FNTA (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL6136290 0.84 FNTA (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL6136282 0.84 FNTA (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1

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
EP-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP claimed