SCHEMBL8993672

SCHEMBL8993672

ClC(Cl)(Cl)Oc1ccccc1.FC(F)(F)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
GRIN2B Q13224 1/20 0.40
MAPT P10636 4/20 0.38
EPHX2 P34913 2/20 0.38
SLC7A5 Q01650 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
CCR6 P51684 1/20 0.38
KCNH2 Q12809 1/20 0.38
METAP2 P50579 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 1/20 0.38
GPR3 P46089 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.38
CTSC P53634 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
SCHEMBL168125 0.88 KIF11 (0.47) KIF11GRIN2BMAPTEPHX2SLC7A5
SCHEMBL53548 0.88 TSHR (0.45) MEN1KMT2ACYP1A2LTA4H
SCHEMBL31146814 0.86 KIF11 (0.43) KIF11GRIN2BMAPTEPHX2SLC7A5
SCHEMBL4036806 0.85 KIF11 (0.46) KIF11GRIN2BMAPTEPHX2SLC7A5
SCHEMBL4036809 0.85 KIF11 (0.46) KIF11GRIN2BMAPTEPHX2SLC7A5
Ammonia Solution, Strong SCHEMBL2163079 0.85 KIF11 (0.46) KIF11GRIN2BMAPTEPHX2SLC7A5
SCHEMBL29087324 0.85 KIF11 (0.46) KIF11GRIN2BMAPTEPHX2SLC7A5
Fluoride SCHEMBL28371495 0.85 KIF11 (0.46) KIF11GRIN2BMAPTEPHX2SLC7A5
Ethyne SCHEMBL28472442 0.83 KIF11 (0.44) KIF11GRIN2BMAPTEPHX2SLC7A5
Nitrogen SCHEMBL29122681 0.83 KIF11 (0.44) KIF11GRIN2BMAPTEPHX2SLC7A5

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-0567848-B1 Process for the alpha-chlorination of arylethern BAYER AG (DE) 1996-07-17 EP disclosed
EP-0567848-A1 Process for the alpha-chlorination of arylethern BAYER AG (DE) 1993-11-03 EP disclosed