SCHEMBL2582932

SCHEMBL2582932

Oc1ccc(CN(Cc2ccc(O)c3ncccc23)C(c2ccccc2)c2ccccc2)c2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.58
KDM4E B2RXH2 12/20 0.57
L3MBTL1 Q9Y468 6/20 0.57
HTT P42858 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 4/20 0.55
TP53 P04637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
ALOX15 P16050 3/20 0.54
ALOX12 P18054 2/20 0.54
USP2 O75604 2/20 0.54
BRD4 O60885 1/20 0.54

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
SCHEMBL2523682 0.82 KDM4E (0.62) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL2519345 0.79 KDM4E (0.72) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL2516006 0.78 PAX8 (0.69) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL2519523 0.78 PAX8 (0.69) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL5594514 0.74 KDM4E (0.64) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL31237495 0.74 KDM4E (0.79) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL9177673 0.74 KDM4E (0.79) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL30159468 0.74 KDM4E (1.00) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL1782934 0.74 KDM4E (1.00) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL30122537 0.74 MAOA (0.61) PAX8KDM4EL3MBTL1HTTNPC1

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-2382193-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE Biopharmed (FR) 2011-11-02 EP disclosed
WO-2010073235-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2010-07-01 WO disclosed