SCHEMBL8048033

SCHEMBL8048033

Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
MAPT P10636 5/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
PABPC1 P11940 1/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
EIF4H Q15056 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
HPGD P15428 1/20 0.55
GAA P10253 2/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 1/20 0.53
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL8059547 0.85 HTT (0.58) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL10224151 0.85 MAPT (0.58) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL8057068 0.83 MAPT (0.58) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL28464477 0.81 MAPT (0.64) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL7301504 0.80 HTT (0.71) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL5648998 0.77 HTT (0.80) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL14351715 0.76 KCNMA1 (0.78) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL5455180 0.76 GAA (0.64) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL6260473 0.76 NPC1 (0.70) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL28467006 0.75 MAPT (0.55) SMN1; SMN2HTTMAPTKMT2AMEN1

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
WO-2009032749-A2 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2009-03-12 WO disclosed