SCHEMBL8059547

SCHEMBL8059547

Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 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
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 1/20 0.55
WDR5 P61964 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 3/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL8060211 0.87 HTT (0.57) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8048033 0.85 SMN1; SMN2 (0.58) HTTSMN1; SMN2KMT2AMEN1PABPC1
SCHEMBL10224183 0.85 RORC (0.57) HTTSMN1; SMN2KMT2AMEN1PABPC1
SCHEMBL10224066 0.83 KMT2A (0.56) HTTSMN1; SMN2KMT2AMEN1PABPC1
SCHEMBL25394799 0.81 KMT2A (0.56) HTTSMN1; SMN2KMT2AMEN1PABPC1
SCHEMBL29074265 0.79 KMT2A (0.64) HTTKMT2AMEN1PABPC1DUSP3
SCHEMBL8057912 0.78 KMT2A (0.64) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL18147758 0.77 MAPT (0.62) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL18147762 0.77 MAPT (0.62) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL28581602 0.77 WDR5 (0.62) HTTSMN1; SMN2KMT2AMEN1PABPC1

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 2 patents. 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
WO-2008021088-A2 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2008-02-21 WO disclosed