SCHEMBL1845896

SCHEMBL1845896

FC(F)(F)c1cc(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
CES2 O00748 1/20 0.38
ACP1 P24666 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
IDO1 P14902 3/20 0.34
TMPRSS4 Q9NRS4 2/20 0.33
XPO1 O14980 1/20 0.32
TDO2 P48775 1/20 0.32
PTPN5 P54829 1/20 0.31
ADRB1 P08588 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1845450 0.89 NOTUM (0.40) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL131138 0.87 NOTUM (0.50) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL1445873 0.85 NOTUM (0.48) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL1082212 0.82 NOTUM (0.50) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL1844641 0.77 PGK1 (0.35) NOTUM
SCHEMBL8991148 0.76 IDO1 (0.39) NOTUMCES2IDO1TDO2PTPN5
SCHEMBL1104681 0.76 NOTUM (0.47) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL21233217 0.76 KIF11 (0.42) CES2IDO1XPO1MAPT
SCHEMBL10872203 0.76 NOTUM (0.43) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL18191156 0.76 RAPGEF4 (0.47) NOTUMCES2TAS2R14IDO1TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325165-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2011-05-25 EP disclosed