SCHEMBL11036403

SCHEMBL11036403

NCCCC[C@H](Nc1ccc([N+](=O)[O-])c2nonc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 9/20 0.50
MAX P61244 5/20 0.50
GSTM2 P28161 1/20 0.50
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
IDO1 P14902 3/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PSMD14 O00487 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MIF P14174 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SUCNR1 Q9BXA5 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
SCHEMBL20721738 0.89 GSTM2 (0.51) MYCMAXGSTM2MEN1KMT2A
SCHEMBL7549985 0.89 MYC (0.50) MYCMAXGSTM2MEN1KMT2A
SCHEMBL25401535 0.83 MEN1 (0.57) MYCMAXGSTM2MEN1KMT2A
SCHEMBL26268722 0.83 MEN1 (0.52) MYCMAXGSTM2MEN1KMT2A
SCHEMBL25401554 0.83 MEN1 (0.57) MYCMAXGSTM2MEN1KMT2A
SCHEMBL13484057 0.83 GSTM2 (0.47) MYCMAXGSTM2MEN1KMT2A
Hydrochloric Acid SCHEMBL25405658 0.82 MEN1 (0.56) MYCMAXGSTM2MEN1KMT2A
Hydrochloric Acid SCHEMBL25405669 0.82 MEN1 (0.56) MYCMAXGSTM2MEN1KMT2A
SCHEMBL6150746 0.81 MMP2 (0.42) HTTRECQLGAAMAPT
SCHEMBL13525106 0.80 MEN1 (0.52) MYCMAXGSTM2MEN1KMT2A

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-0090388-B1 CHROMOPHORE PEPTIDES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE IN THE DETECTION OF DD-CARBOXY PEPTIDASES HOECHST AKTIENGESELLSCHAFT (DE) 1985-05-08 EP disclosed
EP-0090388-A1 Chromophore peptides, process for their preparation, agents containing them and their use in the detection of DD-carboxy peptidases HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-05 EP disclosed