SCHEMBL4435513

SCHEMBL4435513

COc1ccc([N+](=O)[O-])cc1Br.O=[N+]([O-])c1ccc(O)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
HTT P42858 2/20 0.51
AMY1A P0DUB6 1/20 0.48
KCNMA1 Q12791 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
GPR35 Q9HC97 1/20 0.47
TTR P02766 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL31144295 0.91 TDP1 (0.64) TDP1HTTAMY1ASMN1; SMN2LMNA
SCHEMBL145997 0.91 TDP1 (0.64) TDP1HTTAMY1ASMN1; SMN2LMNA
SCHEMBL144190 0.85 ALDH1A1 (0.62) TDP1SMN1; SMN2LMNAALDH1A1TP53
Bromide SCHEMBL8457695 0.84 ALDH1A1 (0.60) TDP1SMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL31493924 0.80 HTT (0.66) TDP1HTTKCNMA1SMN1; SMN2LMNA
SCHEMBL443353 0.80 TDP1 (0.64) TDP1HTTKCNMA1SMN1; SMN2LMNA
SCHEMBL31375357 0.80 TDP1 (0.64) TDP1HTTKCNMA1SMN1; SMN2LMNA
SCHEMBL221924 0.80 HTT (0.66) TDP1HTTKCNMA1SMN1; SMN2LMNA
SCHEMBL31463557 0.80 TDP1 (0.50) TDP1HTTAMY1ASMN1; SMN2LMNA
SCHEMBL1531372 0.79 HTT (0.64) TDP1HTTKCNMA1SMN1; SMN2LMNA

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
EP-1755394-A4 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
EP-1755394-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2007-02-28 EP disclosed
WO-2005105094-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2005-11-10 WO disclosed