SCHEMBL19333346

SCHEMBL19333346

CC(C)c1cc(F)ccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.47
CA1 P00915 2/20 0.47
PTGS2 P35354 5/20 0.42
PTGS1 P23219 4/20 0.42
NR3C2 P08235 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTPN11 Q06124 1/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL15503304 0.82 L3MBTL1 (0.59) PTGS2PTGS1RECQLL3MBTL1POLB
SCHEMBL19333319 0.81 PTGS1 (0.48) CA2CA1PTGS2PTGS1SLC22A12
SCHEMBL2737251 0.79 L3MBTL1 (0.44) RECQLL3MBTL1POLBPSEN1PSEN2
SCHEMBL13129161 0.79 L3MBTL1 (0.64) CA2CA1PTGS2PTGS1L3MBTL1
SCHEMBL17917630 0.79 CA2 (0.50) CA2CA1PTGS2PTGS1
SCHEMBL10625554 0.78 CA2 (0.66) CA2CA1PTGS2PTGS1
SCHEMBL6658979 0.76 CA2 (0.67) CA2CA1PTGS2PTGS1SMN1; SMN2
SCHEMBL24435766 0.75 LMNA (0.35) CA2CA1SMN1; SMN2PSEN1PSEN2
SCHEMBL10933116 0.73 ALDH1A1 (0.43) CA2CA1PTGS2PTGS1PTPN11
SCHEMBL23876095 0.72 RECQL (0.44) RECQLPOLBPSEN1PSEN2APH1B

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-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed