SCHEMBL7007579

SCHEMBL7007579

[B]c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
EPHX2 P34913 1/20 0.47
GPR3 P46089 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KIF11 P52732 1/20 0.40
PDE2A O00408 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 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
SCHEMBL28780452 0.78 EPHX2 (0.50) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL255560 0.76 GPR3 (0.52) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL13863723 0.76 MAPT (0.48) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL513525 0.74 MAPT (0.52) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL97453 0.74 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL15372299 0.74 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL221511 0.74 MAPT (0.52) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL5073 0.74 TDP1 (0.50) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL255564 0.74 CCR6 (0.50) MAPTEPHX2GPR3ALDH1A1TSHR
SCHEMBL21900444 0.74 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E

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-1366043-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2003-12-03 EP disclosed
WO-2002064588-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-08-22 WO disclosed
EP-0842162-A1 1,3-OXA(THIA)ZINE DERIVATIVES BAYER AG (DE) 1998-05-20 EP disclosed