SCHEMBL10036668

SCHEMBL10036668

O=[N+]([O-])c1ccc(NCc2ccco2)c2nonc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 1.00
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
USP2 O75604 1/20 0.67
HTT P42858 1/20 0.67
RECQL P46063 1/20 0.67
POLB P06746 2/20 0.67
GSTM2 P28161 1/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 3/20 0.55
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
LMNA P02545 1/20 0.55
IDO1 P14902 3/20 0.54
MYC P01106 3/20 0.54
ALDH1A1 P00352 2/20 0.53
WNK1 Q9H4A3 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HTR6 P50406 2/20 0.50
HRH3 Q9Y5N1 2/20 0.49

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
SCHEMBL443977 0.81 MEN1 (1.00) MIFMEN1KMT2AUSP2HTT
SCHEMBL8788860 0.80 MEN1 (0.67) MIFMEN1KMT2AUSP2HTT
SCHEMBL300144 0.78 MEN1 (0.67) MIFMEN1KMT2AUSP2HTT
SCHEMBL9698164 0.77 MAPT (0.63) MIFMEN1KMT2APOLBMAPT
SCHEMBL17781757 0.77 MEN1 (0.67) MIFMEN1KMT2AUSP2HTT
SCHEMBL25343177 0.76 MEN1 (0.77) MIFMEN1KMT2AUSP2HTT
SCHEMBL12818156 0.76 GSTM2 (0.70) MIFMEN1KMT2AUSP2HTT
SCHEMBL19387685 0.75 GSTM2 (0.68) MIFMEN1KMT2AUSP2HTT
SCHEMBL21239902 0.75 GSTM2 (0.68) MIFMEN1KMT2AUSP2HTT
SCHEMBL8429536 0.75 GSTM2 (0.68) MIFMEN1KMT2AUSP2HTT

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
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed