SCHEMBL9102049

SCHEMBL9102049

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 11/20 0.46
GSTP1 P09211 12/20 0.44
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
USP2 O75604 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
MYC P01106 1/20 0.40
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL19690834 0.76 GSTM2 (0.77) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL2420517 0.76 GSTM2 (0.77) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL9102043 0.75 GSTM2 (0.44) GSTM2GSTP1HRH3MEN1KMT2A
SCHEMBL12939052 0.74 GSTM2 (0.75) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL7052057 0.72 GSTM2 (0.66) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL1108120 0.72 GSTP1 (0.63) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL22871986 0.70 GSTP1 (0.57) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL12387644 0.70 GSTM2 (0.73) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL8788825 0.69 GSTM2 (0.51) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL3025724 0.69 GSTP1 (0.43) GSTM2GSTP1MEN1KMT2AUSP2

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
US-5576436-A FLUORESCENT LABELED LIGANDS FOR MEASUREMENT OF RECEPTORS PHARMACEUTICAL DISCOVERY CORPORATION (US) 1996-11-19 US disclosed