SCHEMBL7617079

SCHEMBL7617079

CC(C(=O)Oc1cccc2c1N(O)c1ccccc1S2)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
SLC6A3 Q01959 1/20 0.39
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4080952 0.72 BCHE (0.40) BCHEMAPTNOX1LMNAHTR1A
SCHEMBL5073280 0.70 BCHE (0.40) BCHEMAPTNOX1HTT
SCHEMBL2496191 0.70 BCHE (0.38) BCHEMAPTNOX1HTR1AADRB3
SCHEMBL4088074 0.68 BCHE (0.38) BCHEMAPTMEN1KMT2ANOX1
SCHEMBL4343072 0.68 NOX1 (0.39) BCHEMEN1KMT2ANOX1SLC6A3
SCHEMBL5070736 0.67 BCHE (0.37) BCHEMAPTNOX1HTR1AADRB3
SCHEMBL7620961 0.66 PTGS1 (0.43) BCHEMAPTKMT2ANOX1LMNA
Phosphoric Acid SCHEMBL6395405 0.65 MEN1 (0.48) BCHEMAPTMEN1KMT2ANOX1
SCHEMBL4079882 0.64 PTGS1 (0.44) BCHEMAPTKMT2ANOX1SLC6A3
SCHEMBL6767771 0.63 MAOA (0.58) BCHEMEN1KMT2ANOX1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224505-A1 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2002-07-24 EP disclosed
WO-2001027690-A2 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2001-04-19 WO disclosed