SCHEMBL7787947

SCHEMBL7787947

NCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.68
CTNNB1 P35222 1/20 0.68
KMT2A Q03164 4/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
PTPN7 P35236 1/20 0.50
PTPN12 Q05209 1/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MGLL Q99685 2/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HGFAC Q04756 1/20 0.45
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL14359629 0.94 BCL9 (0.64) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL7161403 0.90 BCL9 (0.71) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL3919600 0.90 BCL9 (0.76) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL531007 0.90 BCL9 (0.76) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL531155 0.89 BCL9 (0.73) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL570540 0.89 BCL9 (0.73) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL530771 0.89 BCL9 (0.73) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL7079988 0.89 BCL9 (0.73) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL957930 0.87 BCL9 (0.81) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL16915260 0.86 BCL9 (0.66) BCL9CTNNB1KMT2AGAAPKM

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
EP-1147076-A1 ACRYLAMIDE DERIVATIVES AND POLYMERS CONTAINING SAID DERIVATIVES Amersham Pharmacia Biotech K.K. (JP) 2001-10-24 EP disclosed
WO-2000043355-A1 ACRYLAMIDE DERIVATIVES AND POLYMERS CONTAINING SAID DERIVATIVES AMERSHAM PHARMACIA BIOTECH K.K. (JP) 2000-07-27 WO disclosed