SCHEMBL13997261

SCHEMBL13997261

BrC(=C\c1ccccc1)/C(Br)=C/c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
FBP1 P09467 3/20 0.52
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
AKR1C1 Q04828 1/20 0.44
ESR1 P03372 1/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
MAOB P27338 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRMT1 Q99873 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1721350 0.90 AKR1C3 (0.50) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL1804114 0.85 AKR1C3 (0.61) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL1804115 0.85 AKR1C3 (0.61) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL1481710 0.85 AKR1C3 (0.61) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL10486857 0.83 FBP1 (0.44) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL6900445 0.83 FBP1 (0.44) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL11784896 0.83 FBP1 (0.44) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL3911150 0.82 AKR1C3 (0.52) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL180460 0.82 AKR1C3 (0.52) AKR1C3FBP1ALDH1A1TSHRAKR1C1
SCHEMBL10932008 0.81 AKR1C3 (0.63) AKR1C3FBP1ALDH1A1TSHRAKR1C1

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
EP-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP disclosed