SCHEMBL27630263

SCHEMBL27630263

NCC(=O)NCC(=O)O.O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.45
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSD P07339 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLCG2 P16885 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AOC3 Q16853 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL27600331 0.78 CTSD (0.49) GPR35TSHRMEN1KMT2ACTSD
SCHEMBL9442592 0.76 CYP1A2 (0.37) GPR35TSHRMEN1KMT2ACTSD
SCHEMBL17498267 0.75 DTYMK (0.45) TSHRMEN1KMT2ACTSDL3MBTL1
SCHEMBL1653792 0.75 GPR35 (0.49) GPR35TSHRMEN1KMT2AL3MBTL1
SCHEMBL15610644 0.74 L3MBTL1 (0.51) GPR35TSHRMEN1KMT2ACTSD
SCHEMBL10783754 0.73 ALDH1A1 (0.44) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3427046 0.72 ALDH1A1 (0.52) MEN1KMT2ACTSDL3MBTL1KDM4E
Hydrazine SCHEMBL28157059 0.72 TSHR (0.65) GPR35TSHRMEN1KMT2AALDH1A1
SCHEMBL19434714 0.72 GLRA1 (0.47) MEN1KMT2AAPEX1KDM4EALDH1A1
SCHEMBL118464 0.72 TSHR (0.71) GPR35TSHRMEN1KMT2AALDH1A1

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
CN-1786185-A Determination method of proangiotension transferase activity and proangiotension transferase diagnosis kit SUZHOU AIJIE BIOLOG SCIENCE AN (CN) 2006-06-14 CN disclosed