SCHEMBL13865263

SCHEMBL13865263

Cc1nc(C)nc(OCCOc2c(Br)cc(C(C)(C)C)cc2Br)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR4 O95977 1/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
KLK1 P06870 1/20 0.30
KMT2A Q03164 1/20 0.30
TLR4 O00206 2/20 0.30
CD14 P08571 2/20 0.30
LY96 Q9Y6Y9 2/20 0.30

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 0.91 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHTTHRH3
SCHEMBL13865264 0.84 MAPT (0.41) ALDH1A1LMNAMAPTHTTHRH3
SCHEMBL9858715 0.83 ALDH1A1 (0.47) ALDH1A1HRH3CYP1A2CYP2D6CYP2C9
SCHEMBL31525571 0.75 ALDH1A1 (0.47) ALDH1A1HTTHRH3CYP1A2CYP2D6
SCHEMBL815368 0.74 MAPT (0.48) ALDH1A1LMNAMAPTHRH3CYP1A2
SCHEMBL13865243 0.71 ALDH1A1 (0.41) ALDH1A1HIF1A
SCHEMBL815088 0.71 KDM4E (0.45) ALDH1A1LMNAMAPTHTTHRH3
SCHEMBL4853420 0.70 RXRA (0.44) ALDH1A1MAPTHTTCYP1A2CYP2D6
SCHEMBL6473245 0.69 RXRA (0.46) ALDH1A1HRH3CYP1A2CYP2D6CYP2C9
SCHEMBL23014691 0.68 ALDH1A1 (0.44) ALDH1A1MAPTHTTHRH3CYP1A2

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