SCHEMBL27463003

SCHEMBL27463003

O=C(O)c1ccno1.O=C(O)c1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.39
MAPT P10636 3/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
GPR52 Q9Y2T5 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TRPA1 O75762 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 1/20 0.34

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
Water SCHEMBL27334970 0.80
Hydrochloric Acid SCHEMBL6473638 0.80
SCHEMBL27835831 0.80
SCHEMBL142183 0.80
SCHEMBL27536645 0.78
Hydrochloric Acid SCHEMBL4253131 0.78
Formaldehyde SCHEMBL27533174 0.76 MAPT (0.47) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
Formic Acid SCHEMBL28287257 0.74 CHRNA4 (0.42) KDM4CMAPTCHRNB2CHRNB4CHRNA3
Methylamine SCHEMBL27945126 0.74 TRPA1 (0.47) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
Acetone SCHEMBL28506095 0.74 TRPA1 (0.47) MAPTCHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1163619-C Method and compositions for determining sequence of nucleic acid molecules �Ѹ�������ѧ��˾ 2004-08-25 CN claimed
CN-1270598-A Methods and compounds for analyzing nucleic acids by mass spectrometry RAPIGENE INC (US) 2000-10-18 CN claimed
CN-1212019-A Methods and compositions for detecting ligand pair binding using non-fluorescent labels RAPIGENE INC (US) 1999-03-24 CN claimed
CN-1212021-A Method and compositions for determining sequence of nucleic acid molecules RAPIGENE INC (US) 1999-03-24 CN claimed
CN-1202260-C Method and compositions for analyzing nucleic acid molecules utilizing sizing techniques GIAGEN GENOMICS INC (US) 2005-05-18 CN disclosed
CN-1163619-C Method and compositions for determining sequence of nucleic acid molecules �Ѹ�������ѧ��˾ 2004-08-25 CN disclosed
CN-1515541-A Method for detecting ligand pair combination by using non-fluorescent marker and its composite ռ�˹ 2004-07-28 CN disclosed
CN-1159452-C Methods and compositions for detecting ligand pair binding using non-fluorescent labels �Ѹ�������ѧ��˾ 2004-07-28 CN disclosed
CN-1270598-A Methods and compounds for analyzing nucleic acids by mass spectrometry RAPIGENE INC (US) 2000-10-18 CN disclosed
CN-1212019-A Methods and compositions for detecting ligand pair binding using non-fluorescent labels RAPIGENE INC (US) 1999-03-24 CN disclosed
CN-1212021-A Method and compositions for determining sequence of nucleic acid molecules RAPIGENE INC (US) 1999-03-24 CN disclosed
CN-1212020-A Method and compositions for analyzing nucleic acid molecules utilizing sizing techniques RAPIGENE INC (US) 1999-03-24 CN disclosed