SCHEMBL6139007

SCHEMBL6139007

Nc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
CYP1A2 P05177 3/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.39
HDAC2 Q92769 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CRHBP P24387 1/20 0.35
ATM Q13315 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL5573880 0.92 ALDH1A1 (0.52) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL17779617 0.88 ALDH1A1 (0.52) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL25547292 0.83 ALDH1A1 (0.52) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL24079299 0.80 ALDH1A1 (0.52) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL22815526 0.80 ALDH1A1 (0.52) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL24079324 0.80 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL30512156 0.79 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL13969319 0.78 ALDH1A1 (0.64) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL74527 0.78 ALDH1A1 (0.64) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1
SCHEMBL20664596 0.78 ALDH1A1 (0.64) ALDH1A1MAPTCYP1A2KDM4EL3MBTL1

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-1310539-B1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL CO (JP) 2005-03-16 EP disclosed
US-20030165713-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-04 US disclosed
EP-1310539-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-14 EP disclosed