SCHEMBL5480680

SCHEMBL5480680

C=Cc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
MAPT P10636 7/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
CYP2A6 P11509 1/20 0.47
CYP2A13 Q16696 1/20 0.47
APP P05067 4/20 0.45
ALDH1A1 P00352 7/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 2/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL178888 0.87 CYP2A6 (0.58) MAPTTSHRMAPK1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL2806293 0.85 CYP2A6 (0.56) MAPTTSHRMAPK1TDP1L3MBTL1
Bromide SCHEMBL8864770 0.85 CYP2A6 (0.56) MAPTTSHRMAPK1TDP1L3MBTL1
SCHEMBL10874697 0.83 SLC2A1 (0.45) SLC2A1MAPTTSHRMAPK1TDP1
SCHEMBL6946790 0.82 ALDH1A1 (0.65) TSHRTDP1ALDH1A1TP53
SCHEMBL9626237 0.82 SLC2A1 (0.71) SLC2A1MAPTTSHRMAPK1TDP1
SCHEMBL61574 0.82 SLC2A1 (0.71) SLC2A1MAPTTSHRMAPK1TDP1
SCHEMBL13857829 0.81 RELA (0.65) MAPTCYP2A6CYP2A13APPALDH1A1
SCHEMBL18664601 0.81 CYP2A6 (0.52) MAPTTSHRMAPK1TDP1L3MBTL1
SCHEMBL13857827 0.81 RELA (0.65) MAPTCYP2A6CYP2A13APPALDH1A1

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
US-8888684-B2 Medical devices with local drug delivery capabilities BOSTON SCIENTIFIC SCIMED, INC. (US) 2014-11-18 US disclosed
US-20070225564-A1 Medical devices with local drug delivery capabilities BOSTON SCIENTIFIC SCIMED, INC. (US) 2007-09-27 US disclosed
EP-0058430-B1 DYESTUFF-CONTAINING MICROSCOPIC CAPSULE DISPERSION FOR RECORD MATERIALS MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-04 EP disclosed