SCHEMBL9714062

SCHEMBL9714062

N#CCOc1ccc2cc(Oc3c(Cl)cc(C(F)(F)F)c(F)c3Cl)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.36
PLA2G7 Q13093 4/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDR P35968 1/20 0.31
RET P07949 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL9711443 0.89 GAA (0.35) ARPLA2G7THRATHRBHTR2A
SCHEMBL10482128 0.84 PLA2G7 (0.37) ARPLA2G7THRATHRBHTR2A
SCHEMBL10509974 0.82 PLA2G7 (0.36) ARPLA2G7THRATHRBHTR2A
SCHEMBL9711432 0.81 PTPN7 (0.46) THRATHRB
SCHEMBL9714352 0.81 POLB (0.38) PLA2G7THRATHRB
SCHEMBL9711446 0.80 TRPV4 (0.35) ARPLA2G7THRATHRBHTR2A
SCHEMBL9711434 0.80 AR (0.36) ARPLA2G7THRATHRBHTR2A
SCHEMBL10482334 0.79 THRB (0.35) ARPLA2G7THRATHRBHTR2A
SCHEMBL9711430 0.79 TRPV1 (0.38) PLA2G7THRATHRB
SCHEMBL9645027 0.79 PTPN7 (0.47) THRATHRB

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
US-5079384-A Weed killers, destroy broad leaf plants, postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed