SCHEMBL9112151

SCHEMBL9112151

[CH2]/C=C/c1cc(Br)cc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.36
ALDH1A1 P00352 1/20 0.31
HSD17B3 P37058 1/20 0.30

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
SCHEMBL9112156 1.00 APP (0.36) APPALDH1A1HSD17B3
SCHEMBL2094663 0.75 HSD17B3 (0.57) ALDH1A1HSD17B3
SCHEMBL2094660 0.75 HSD17B3 (0.57) ALDH1A1HSD17B3
SCHEMBL2981659 0.74 APP (0.38) APPALDH1A1HSD17B3
SCHEMBL16960755 0.72 APP (0.41) APPALDH1A1HSD17B3
SCHEMBL73245 0.72 CYP2C19 (0.46) ALDH1A1
SCHEMBL73246 0.72 CYP2C19 (0.46) ALDH1A1
SCHEMBL15145957 0.72 APP (0.41) APPALDH1A1HSD17B3
SCHEMBL353448 0.71 ALDH1A1 (0.42) APPALDH1A1
SCHEMBL5255139 0.69 ALDH1A1 (0.36) APPALDH1A1HSD17B3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed