SCHEMBL6915841

SCHEMBL6915841

N#Cc1ccc([AsH]C(=O)c2noc3c2CN(C(=O)OCc2ccccc2)CC3)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGDR2 Q9Y5Y4 12/20 0.40
TMEM97 Q5BJF2 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
HSP90AA1 P07900 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PGGT1B P53609 2/20 0.38

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
SCHEMBL6833796 0.87 ALDH1A1 (0.42) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL505149 0.69 GRM5 (0.49) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL7064643 0.68 MAOB (0.41) ALDH1A1HPGD
SCHEMBL504820 0.67 GRM5 (0.54) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL7413192 0.67 MEN1 (0.50) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL4261756 0.66 GRM5 (0.48) KMT2AHSP90AA1
SCHEMBL6918289 0.65 SMN1; SMN2 (0.38) MEN1ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL2709528 0.64 FNTA (0.49) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL15055269 0.64 PTGDR2 (0.61) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL15056961 0.63 PTGDR2 (0.60) MEN1ALDH1A1GAAMAPTHPGD

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed