SCHEMBL13865241

SCHEMBL13865241

Cc1nc(Oc2c(Br)cc(Br)cc2Br)nc(Oc2c(Br)cc(Br)cc2Br)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 4/20 0.37
ALOX12 P18054 3/20 0.37
PRNP P04156 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NOD2 Q9HC29 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EGFR P00533 1/20 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
SCHEMBL13865237 0.96 HSD17B10 (0.38) HSD17B10ALOX15ALOX12PRNPNPSR1
SCHEMBL95398 0.89 HSD17B10 (0.39) HSD17B10ALOX15ALOX12PRNPNPSR1
SCHEMBL10041849 0.80 HSD17B10 (0.34) HSD17B10ALOX15ALOX12ALDH1A1AKR1B1
SCHEMBL4315763 0.80 HSP90AA1 (0.38) HSD17B10ALOX15ALOX12ALDH1A1HTT
SCHEMBL6822649 0.79 ALOX15 (0.42) HSD17B10ALOX15ALOX12PRNPNPSR1
SCHEMBL13865243 0.78 ALDH1A1 (0.41) HSD17B10ALOX15ALOX12ALDH1A1HPGD
SCHEMBL13865246 0.77 HTR6 (0.33)
SCHEMBL3803700 0.72 TDP1 (0.45) HSD17B10ALOX15ALOX12ALDH1A1MAPT
SCHEMBL13868099 0.70
SCHEMBL2123860 0.69 ALOX15 (0.34) HSD17B10ALOX15ALOX12ALDH1A1HTT

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