SCHEMBL4306575

SCHEMBL4306575

Nc1cccc(C(F)(F)F)c1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
SLC9A1 P19634 2/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA5A P35218 2/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL795355 0.88 MEN1 (0.41) SLC9A1CA1CA2CA9CA12
SCHEMBL6036990 0.85 CA1 (0.39) CA1CA2CA9CA12CA5A
SCHEMBL668652 0.80 TTR (0.54) TTRCA1CA2CA9CA12
SCHEMBL3197747 0.79 SLC22A12 (0.42) SLC9A1CA1CA2CA9CA12
SCHEMBL28805396 0.78 CA1 (0.44) SLC9A1CA1CA2CA9CA12
SCHEMBL28918924 0.78 MCL1 (0.42) SLC9A1CA1CA2CA9CA7
SCHEMBL2127253 0.78 MEN1 (0.42) SLC9A1ALDH1A1TSHRTDP1MEN1
SCHEMBL28407130 0.78 TTR (0.52) TTRCA1CA2CA9CA12
SCHEMBL11430380 0.78 TTR (0.52) TTRCA1CA2CA9CA12
SCHEMBL8409325 0.76 MEN1 (0.41) SLC9A1ALDH1A1TSHRTDP1MEN1

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
WO-2009138352-A2 FIBRE-REACTIVE DYSTUFFS CONTAINING A TRIFLUOROMETHYL GROUP DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-11-19 WO disclosed
EP-0767219-B1 Pigmented plastics compositions CIBA SC HOLDING AG (CH) 2000-12-27 EP disclosed