SCHEMBL3592647

SCHEMBL3592647

NCC(N)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 9/20 0.47
GSTP1 P09211 8/20 0.47
IDO1 P14902 5/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
USP2 O75604 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
MYC P01106 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL3025724 0.86 GSTP1 (0.43) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL28945748 0.83 GSTM2 (0.46) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL8788868 0.82 GSTP1 (0.49) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL7052057 0.79 GSTM2 (0.66) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL7597653 0.79 GSTP1 (0.47) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL18056297 0.78 GSTP1 (0.55) GSTM2GSTP1IDO1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL9102512 0.76 GSTP1 (0.40) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL306168 0.76 MEN1 (0.56) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL8788825 0.75 GSTM2 (0.51) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL5713971 0.75 GSTP1 (0.48) GSTM2GSTP1IDO1MEN1KMT2A

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
US-7704543-B2 Conversion of amine- to carboxyl groups on solid surfaces ILLUMINA CAMBRIDGE LIMITED (GB) 2010-04-27 US disclosed
US-20070042109-A1 Conversion of amine- to carboxyl groups on solid surfaces ILLUMINA CAMBRIDGE LIMITED (GB) 2007-02-22 US disclosed