SCHEMBL1355971

SCHEMBL1355971

O=C(O)c1ccc([N+](=O)[O-])c(O)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
DTYMK P23919 1/20 0.50
TSHR P16473 2/20 0.47
CASP6 P55212 1/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CDK2 P24941 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 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
SCHEMBL15622 0.87 DTYMK (0.49) GPR35DTYMKTSHRCASP6ALDH1A1
SCHEMBL1981517 0.86 GPR35 (0.52) GPR35DTYMKTSHRCASP6ALDH1A1
Potassium Ion SCHEMBL2372982 0.85 DTYMK (0.47) GPR35DTYMKTSHRCASP6ALDH1A1
SCHEMBL15557230 0.85 DTYMK (0.47) GPR35DTYMKTSHRCASP6ALDH1A1
Ammonia Solution, Strong SCHEMBL2373499 0.85 DTYMK (0.47) GPR35DTYMKTSHRCASP6ALDH1A1
SCHEMBL2373299 0.85 DTYMK (0.47) GPR35DTYMKTSHRCASP6ALDH1A1
SCHEMBL2373328 0.85 DTYMK (0.47) GPR35DTYMKTSHRCASP6ALDH1A1
SCHEMBL304470 0.84 CASP6 (0.55) GPR35DTYMKTSHRCASP6ALDH1A1
SCHEMBL7693503 0.82 SELL (0.57) GPR35TSHRALDH1A1CYP3A4ALOX15
SCHEMBL27501298 0.82 CASP6 (0.53) GPR35DTYMKTSHRCASP6ALDH1A1

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-8709072-B2 Endoprosthesis BOSTON SCIENTIFIC SCIMED, INC. (US) 2014-04-29 US disclosed
US-20110282436-A1 Endoprosthesis BOSTON SCIENTIFIC SCIMED, INC. (US) 2011-11-17 US disclosed