SCHEMBL7193923

SCHEMBL7193923

CCOC(=O)c1cnn(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
TRPC1 P48995 2/20 0.60
TRPC3 Q13507 2/20 0.60
STIM1 Q13586 2/20 0.60
ORAI1 Q96D31 2/20 0.60
STIM2 Q9P246 2/20 0.60
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL5539403 0.85 MAPT (0.74) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL8345184 0.82 TRPC1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL21419596 0.78 TRPC1 (0.68) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL1194642 0.78 TRPC1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL19692480 0.77 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL5533620 0.77 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2325526 0.77 MAPT (0.76) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL1814204 0.76 ALDH1A1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL12931795 0.76 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2722465 0.76 TRPC1 (0.64) MAPTTRPC1TRPC3STIM1ORAI1

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-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed