SCHEMBL13264685

SCHEMBL13264685

CN(C)c1ccc(/C=C/C2=CC=CCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.49
APP P05067 7/20 0.47
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CASP1 P29466 2/20 0.46
HBB P68871 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALOX15 P16050 1/20 0.46
TXNRD1 Q16881 1/20 0.46
GAA P10253 1/20 0.44
BRCA1 P38398 1/20 0.44
CASP7 P55210 1/20 0.44
PTGS1 P23219 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALPG P10696 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL10128969 0.78 CYP19A1 (0.47) APPMAPTMEN1KMT2ANPC1
SCHEMBL14401242 0.78 NFE2L2 (0.44) APPTXNRD1PTGS1NQO2
SCHEMBL5499439 0.78 MAOB (0.38) RELAMEN1KMT2A
SCHEMBL22268556 0.78 MAOB (0.38) RELAMEN1KMT2A
SCHEMBL14215914 0.77 APP (0.47) APPMAT2AKCNH2
SCHEMBL13264676 0.75 RELA (0.50) RELAAPPMAPTMEN1KMT2A
SCHEMBL22333986 0.75 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL1714446 0.74 RELA (0.81) RELAAPPMAPTMEN1KMT2A
SCHEMBL13467434 0.74 RELA (0.81) RELAAPPMAPTMEN1KMT2A
SCHEMBL7915381 0.74 RELA (0.81) RELAAPPMAPTMEN1KMT2A

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
US-7759502-B2 Useful for inhibiting the aggregation of amyloid protein to form amyloid deposit THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-20 US disclosed
US-7250525-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-31 US disclosed