SCHEMBL4193757

SCHEMBL4193757

Fc1cc(Br)cc(Oc2ccc(C(F)(F)F)cn2)c1.OB(O)c1cc(F)cc(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
LIPE Q05469 9/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1011736 0.93 THRB (0.50) THRBLIPEL3MBTL1MAPK1LMNA
SCHEMBL1011707 0.90 THRB (0.63) THRBLIPEL3MBTL1MAPK1LMNA
SCHEMBL1417238 0.85 THRB (0.69) THRBLIPEL3MBTL1MAPK1LMNA
SCHEMBL1011722 0.81 LIPE (0.50) THRBLIPEMAPK1LMNAMAPT
SCHEMBL2424855 0.78 MAPK1 (0.62) THRBLIPEL3MBTL1MAPK1LMNA
SCHEMBL16188792 0.77 LIPE (0.59) THRBLIPEMAPK1LMNAMAPT
SCHEMBL31360509 0.76 THRB (0.61) THRBLIPEL3MBTL1MAPK1LMNA
SCHEMBL31360386 0.76 THRB (0.61) THRBLIPEL3MBTL1MAPK1LMNA
SCHEMBL1013808 0.76 THRB (0.61) THRBLIPEL3MBTL1MAPK1LMNA
SCHEMBL1011792 0.76 THRB (0.57) THRBLIPEL3MBTL1MAPK1LMNA

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-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed