SCHEMBL27546830

SCHEMBL27546830

O=C(C(CBr)c1cccc([N+](=O)[O-])c1)C(CBr)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACP3 P15309 1/20 0.49
TSHR P16473 4/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
GRM8 O00222 4/20 0.45
GRM4 Q14833 4/20 0.45
GRM6 O15303 3/20 0.44

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
SCHEMBL6743779 0.82 L3MBTL1 (0.62) L3MBTL1HTTSMN1; SMN2ACP3TSHR
SCHEMBL7110594 0.82 L3MBTL1 (0.62) L3MBTL1HTTSMN1; SMN2ACP3TSHR
SCHEMBL6745214 0.82 L3MBTL1 (0.62) L3MBTL1HTTSMN1; SMN2ACP3TSHR
SCHEMBL7733262 0.82 AKR1C3 (0.53) L3MBTL1HTTSMN1; SMN2ACP3TSHR
SCHEMBL27426836 0.80 GSK3B (0.51) SMN1; SMN2TSHRLMNAMEN1KMT2A
SCHEMBL2081864 0.80 AKR1C3 (0.67) L3MBTL1HTTSMN1; SMN2ACP3TSHR
SCHEMBL2081866 0.80 AKR1C3 (0.67) L3MBTL1HTTSMN1; SMN2ACP3TSHR
SCHEMBL7723428 0.80 ACP3 (0.48) L3MBTL1HTTSMN1; SMN2ACP3TSHR
SCHEMBL7734348 0.79 AKR1C3 (0.53) L3MBTL1HTTSMN1; SMN2ACP3TSHR
SCHEMBL4659329 0.79 AKR1C3 (0.53) L3MBTL1HTTSMN1; SMN2ACP3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
CN-100400041-C Diaminothiazoles useful as selective inhibitors of CDK4 HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
CN-101146782-A Meta-substituted thiazolidinone compounds, process for their preparation and their use as medicaments BAYER SCHERING PHARMA AG (DE) 2008-03-19 CN disclosed
CN-1324019-C Azabicyclo salt compounds and their use to treat protein aging diseases INST OF TOXIC MEDICINE ACADEMY (CN) 2007-07-04 CN disclosed
CN-1652780-A Diaminothiazoles used as CDK4 inhibitors HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
CN-1639146-A Fused tricyclic heterocycles useful for the treatment of hyperproliferative diseases BAYER PHARMACEUTICALS CORP (US) 2005-07-13 CN disclosed
CN-1534028-A New azabicyclo salt compounds and their use for treating protein aging diseases 中国人民解放军军事医学科学院毒物药 2004-10-06 CN disclosed