SCHEMBL13623124

SCHEMBL13623124

FC(F)(c1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA5A P35218 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
KIF11 P52732 1/20 0.42
TSHR P16473 2/20 0.38
MGLL Q99685 1/20 0.38
CTSL P07711 1/20 0.37
KDM1A O60341 2/20 0.36
C1S P09871 1/20 0.35
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
PARP1 P09874 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MPO P05164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34

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
SCHEMBL14275437 0.88 CA1 (0.47) CA1CA2CA5ACA9ALDH1A1
SCHEMBL4661 0.85 CA1 (0.57) CA1CA2CA5ACA9ALDH1A1
SCHEMBL29824423 0.85 CA1 (0.57) CA1CA2CA5ACA9ALDH1A1
SCHEMBL1504913 0.83 CA1 (0.55) CA1CA2CA5ACA9ALDH1A1
SCHEMBL1504972 0.83 CA1 (0.55) CA1CA2CA5ACA9ALDH1A1
SCHEMBL29427094 0.81 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1
SCHEMBL5349272 0.81 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1
SCHEMBL3676950 0.81 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1
SCHEMBL30896627 0.81 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1
SCHEMBL625781 0.81 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1

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
US-7615300-B2 Development of novel proton-conductive polymers for proton exchange membrane fuel cell (PEMFC) technology The Board of Regents University and Community College System of Nevada on Behalf of the University of Nevada (US) 2009-11-10 US disclosed
US-20070048579-A1 Development of novel proton-conductive polymers for proton exchange membrane fuel cell (PEMFC) technology Board of Regents University and Community College System of Nevada 2007-03-01 US disclosed