SCHEMBL14495403

SCHEMBL14495403

O=C(c1cnn(-c2ncc(Cl)cc2Cl)c1)c1cc(Br)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 6/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
HTT P42858 6/20 0.45
HPGD P15428 3/20 0.45
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
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL5313369 0.83 PTGDR2 (0.74) PTGDR2
SCHEMBL5315782 0.79 PTGDR2 (0.70) PTGDR2MAPTRAB9ANPC1HTT
SCHEMBL1992171 0.77 MAPT (0.71) PTGDR2MEN1KMT2AMAPTRAB9A
SCHEMBL5332229 0.77 MEN1 (0.45) PTGDR2MEN1KMT2AMAPTRAB9A
SCHEMBL1993758 0.76 RAB9A (0.73) PTGDR2MEN1KMT2AMAPTRAB9A
SCHEMBL1996282 0.72 MEN1 (0.72) PTGDR2MEN1KMT2AMAPTRAB9A
SCHEMBL5319902 0.72 LDHA (0.43) PTGDR2
SCHEMBL30512088 0.70 ALKBH5 (0.72) PTGDR2MAPTRAB9ANPC1HTT
SCHEMBL1993265 0.70 PTGDR2 (0.77) PTGDR2
SCHEMBL1997356 0.69 RAB9A (0.73) PTGDR2MEN1KMT2AMAPTRAB9A

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