SCHEMBL9102043

SCHEMBL9102043

NCCC(N)(N)CCCCCc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 8/20 0.44
GSTP1 P09211 9/20 0.43
IDO1 P14902 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
MYC P01106 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PSMD14 O00487 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDO2 P48775 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
S1PR4 O95977 1/20 0.39
MIF P14174 1/20 0.38

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
SCHEMBL9100736 0.80 GSTP1 (0.43) GSTM2GSTP1MEN1KMT2AMYC
SCHEMBL7714790 0.76 GSTP1 (0.54) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL8788825 0.75 GSTM2 (0.51) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL9102049 0.75 GSTM2 (0.46) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL21148811 0.72 GSTP1 (0.41) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL7679904 0.71 S1PR1 (0.42) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL10089701 0.71 GSTM2 (0.56) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL7052057 0.70 GSTM2 (0.66) GSTM2GSTP1IDO1MEN1KMT2A
SCHEMBL2420517 0.68 GSTM2 (0.77) GSTM2IDO1MEN1KMT2AUSP2
SCHEMBL19690834 0.68 GSTM2 (0.77) GSTM2IDO1MEN1KMT2AUSP2

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