SCHEMBL5332229

SCHEMBL5332229

O=C(c1cnn(-c2c(Cl)c[n+]([O-])cc2Cl)c1)c1cc(Br)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
HTT P42858 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL5339072 0.82 PTGDR2 (0.69) PTGDR2
SCHEMBL14495403 0.77 PTGDR2 (0.49) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL1993758 0.76 RAB9A (0.73) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL1992171 0.72 MAPT (0.71) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL1996282 0.71 MEN1 (0.72) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL1996566 0.71 PTGDR2 (0.53) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1992159 0.69 PTGDR2 (0.75) SMN1; SMN2RAB9APTGDR2
SCHEMBL1997071 0.69 PTGDR2 (0.76) PTGDR2
SCHEMBL1993265 0.69 PTGDR2 (0.77) PTGDR2
SCHEMBL27665955 0.68 MEN1 (0.55) MEN1KMT2AHTTSMN1; SMN2RAB9A

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-2007062678-A1 PHENOXYACETIC ACID DERIVATIVES AS CRTH2 RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed