SCHEMBL13865244

SCHEMBL13865244

Cc1nc(C)nc(OCCOc2c(Br)cc(C(C)(C)c3cc(Br)c(OCCOc4nc(C)nc(C)n4)c(Br)c3)cc2Br)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KLK1 P06870 1/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL13865263 0.91 ALDH1A1 (0.37) ALDH1A1HIF1AKLK1HRH3LMNA
SCHEMBL13865264 0.84 MAPT (0.41) ALDH1A1TDP1HRH3LMNAMAPT
SCHEMBL13865243 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL8858958 0.75 ALDH1A1 (0.60) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL6336071 0.75 ALDH1A1 (0.56) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL11765295 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL12370674 0.74 ALDH1A1 (0.58) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL25899 0.74 ALDH1A1 (0.54) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL9858715 0.73 ALDH1A1 (0.47) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL3257461 0.72 THRA (0.54) ALDH1A1ALOX15ALOX12CYP3A4HPGD

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