SCHEMBL895511

SCHEMBL895511

NC(=O)c1cc(Br)cc(Br)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.67
AKR1C3 P42330 1/20 0.67
AKR1C2 P52895 1/20 0.67
AKR1C1 Q04828 1/20 0.67
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
CYP1A2 P05177 1/20 0.51
LCK P06239 1/20 0.51
CYP2C9 P11712 1/20 0.51
PTGS1 P23219 1/20 0.51

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
SCHEMBL7182510 0.82 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL330545 0.80 AKR1C3 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL29387062 0.80 AKR1C3 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
Brosotamide SCHEMBL2734625 0.79 KDM4E (0.51) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL4350297 0.79 DGAT1 (0.58) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL21246751 0.79 MEN1 (0.47) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL9398447 0.78 AKR1C3 (0.96) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL9019697 0.78 AKR1C3 (0.96) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL10964657 0.78 ERN1 (0.43) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL11800079 0.78 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1MEN1

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-2440034-A1 HIGH OIL CONTENT PLANTS Bayer BioScience N.V. (BE) 2012-04-18 EP disclosed
US-20120084883-A1 High Oil Content Plants BAYER CROPSCIENCE N.V. (BE) 2012-04-05 US disclosed
WO-2010142424-A1 HIGH OIL CONTENT PLANTS BAYER BIOSCIENCE N.V. (BE) 2010-12-16 WO disclosed