SCHEMBL9100736

SCHEMBL9100736

NC(N)(CCCCCc1ccc([N+](=O)[O-])c2nonc12)C(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 16/20 0.43
GSTM2 P28161 15/20 0.43
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 1/20 0.38
S1PR4 O95977 1/20 0.38
MEN1 O00255 1/20 0.38
MYC P01106 1/20 0.38
KMT2A Q03164 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
SCHEMBL9102043 0.80 GSTM2 (0.44) GSTP1GSTM2S1PR1S1PR3S1PR5
SCHEMBL7714790 0.77 GSTP1 (0.54) GSTP1GSTM2MEN1MYCKMT2A
SCHEMBL8788825 0.69 GSTM2 (0.51) GSTP1GSTM2MEN1MYCKMT2A
SCHEMBL21148811 0.69 GSTP1 (0.41) GSTP1GSTM2MEN1MYCKMT2A
SCHEMBL7679904 0.68 S1PR1 (0.42) GSTP1GSTM2S1PR1S1PR3S1PR5
SCHEMBL10089701 0.68 GSTM2 (0.56) GSTP1GSTM2MEN1MYCKMT2A
SCHEMBL9102049 0.67 GSTM2 (0.46) GSTP1GSTM2MEN1MYCKMT2A
SCHEMBL7052057 0.67 GSTM2 (0.66) GSTP1GSTM2MEN1MYCKMT2A
SCHEMBL25475371 0.64 MEN1 (0.44) GSTP1GSTM2MEN1MYCKMT2A
SCHEMBL25868523 0.64 GSTM2 (0.51) GSTP1GSTM2MEN1MYCKMT2A

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