SCHEMBL5961454

SCHEMBL5961454

O=CNC(=O)Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.57
▸ MAPT P10636 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ P2RX1 P51575 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ KDR P35968 2/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL27599863 0.82 EPHX2 (0.75) EPHX2MAPTHTTALDH1A1HPGD
SCHEMBL4110392 0.81 MAPT (0.64) EPHX2MAPTHTTALDH1A1GAA
SCHEMBL29556410 0.81 MTOR (0.61) EPHX2MAPTHTTALDH1A1GAA
SCHEMBL27599887 0.81 TP53 (0.68) MAPTHTTALDH1A1GAAALOX15
SCHEMBL2095973 0.80 ALDH1A1 (0.60) EPHX2MAPTHTTALDH1A1GAA
SCHEMBL2095975 0.80 ALDH1A1 (0.60) EPHX2MAPTHTTALDH1A1GAA
SCHEMBL12480670 0.80 L3MBTL1 (0.61) EPHX2MAPTHTTALDH1A1GAA
SCHEMBL29555946 0.80 MAPT (0.61) EPHX2MAPTHTTALDH1A1GAA
SCHEMBL11195290 0.80 MAPT (0.68) EPHX2MAPTHTTALDH1A1GAA
SCHEMBL29555891 0.80 P2RX1 (0.67) EPHX2MAPTHTTALDH1A1GAA

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
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 — — US disclosed
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 — — US disclosed
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