SCHEMBL5487025

SCHEMBL5487025

CC(Cl)(I)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
MGLL Q99685 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
ELANE P08246 1/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2721445 0.88 GAA (0.54) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL1461897 0.84 ELANE (0.60) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL28011502 0.84 GAA (0.53) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL7673294 0.83 GAA (0.49) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL6348206 0.81 BCL9 (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL1118843 0.81 ALDH1A1 (0.50) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL763093 0.81 BCL9 (0.54) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL11423460 0.79 BCL9 (0.49) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL7412943 0.79 GAA (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL6359040 0.79 BCL9 (0.56) GAABCL9CTNNB1HTR2ASMN1; SMN2

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
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP disclosed