SCHEMBL9780348

SCHEMBL9780348

NS(=O)(=O)CCN(OC(F)(F)F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
CA2 P00918 12/20 0.38
CA1 P00915 8/20 0.38
CA9 Q16790 8/20 0.38
CA5A P35218 4/20 0.38
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
CA7 P43166 2/20 0.32
NR3C1 P04150 1/20 0.32
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
PLA2G7 Q13093 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL9780415 0.85 FAAH (0.37) CA2CA1CA9CA5ARORC
SCHEMBL9780409 0.77 KMT2A (0.34) RORCMEN1ALDH1A1KMT2ALMNA
SCHEMBL23929831 0.75 LTA4H (0.37) LTA4HMEN1KMT2AL3MBTL1LMNA
SCHEMBL9780419 0.75 KMT2A (0.34) CA2CA1CA9CA5ARORC
SCHEMBL8144722 0.75 SMN1; SMN2 (0.39) LTA4HMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL14058643 0.73 TSHR (0.38) RORCMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28613980 0.72 ALDH1A1 (0.37) RORCMEN1ALDH1A1KMT2A
SCHEMBL9780413 0.69 CA1 (0.33) CA2CA1CA9CA5ARORC
SCHEMBL4138448 0.69 POLQ (0.36) MEN1ALDH1A1KMT2A
SCHEMBL6428638 0.68 ALDH1A1 (0.41) CA2CA1CA9CA5AMEN1

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-5026717-A Glutamate inhibitors RHONE-POULENC SANTE (FR) 1991-06-25 US disclosed