SCHEMBL13865264

SCHEMBL13865264

Cc1cc(Br)c(OCCOc2nc(C)nc(C)n2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 7/20 0.40
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 2/20 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
SCHEMBL13865244 0.84 ALDH1A1 (0.47) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL13865263 0.84 ALDH1A1 (0.37) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL7266985 0.74 KMT2A (0.46) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL19816912 0.73 MAPT (0.50) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL12833107 0.72 THRA (0.57) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL7636855 0.72 KMT2A (0.49) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL7180070 0.72 KDM4E (0.48) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL14681886 0.72 KMT2A (0.53) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL10766331 0.71 KMT2A (0.42) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL27574370 0.71 KDM4E (0.50) MAPTLMNAALDH1A1KMT2AL3MBTL1

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
US-7531664-B2 Flame retarding compounds CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-05-12 US disclosed