SCHEMBL13699130

SCHEMBL13699130

NS(=O)(=O)c1ccc(C(=O)NCCCCCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.66
CA1 P00915 13/20 0.60
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 1/20 0.57
CA9 Q16790 7/20 0.56
CA12 O43570 4/20 0.56
CA14 Q9ULX7 3/20 0.54
RHOC P08134 2/20 0.54
RHOA P61586 2/20 0.54
CA7 P43166 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL13699124 0.87 CA2 (0.52) CA2CA1KDM4EKMT2ACA9
SCHEMBL13699232 0.82 CA2 (0.52) CA2CA1CA9RHOCRHOA
SCHEMBL31017650 0.81 CA2 (0.76) CA2CA1KDM4EKMT2ACA9
SCHEMBL13699120 0.81 RHOC (0.58) RHOCRHOAHDAC3HDAC1
SCHEMBL13699284 0.80 CA2 (0.50) CA2CA1CA9CA12CA14
SCHEMBL15906767 0.80 CA2 (1.00) CA2CA1KDM4EKMT2ACA9
SCHEMBL30583126 0.79 CA2 (0.74) CA2CA1KDM4EKMT2ACA9
SCHEMBL13699282 0.78 CA2 (0.48) CA2CA1CA9CA12CA14
SCHEMBL18376230 0.76 CA2 (0.72) CA2CA1KDM4EKMT2ACA9
SCHEMBL8269475 0.76 CA2 (0.72) CA2CA1KDM4EKMT2ACA9

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
WO-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 WO disclosed