SCHEMBL21937249

SCHEMBL21937249

N/N=C(\NN)Nc1cccc(N/C(=N\N)NN)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.42
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DDX3X O00571 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
KMT2A Q03164 1/20 0.37
MGLL Q99685 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CYP1A2 P05177 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36

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
Iodide SCHEMBL9415818 0.83 KMT2A (0.44) IDO1ALDH1A1KMT2ACYP1A2
Iodide SCHEMBL9415820 0.83 KMT2A (0.44) IDO1ALDH1A1KMT2ACYP1A2
SCHEMBL28258463 0.73 TAS2R38 (0.50) ALDH1A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL11656706 0.71 GAA (0.44) ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11656701 0.71 GAA (0.44) ALDH1A1KMT2A
SCHEMBL21937248 0.70 IDO1 (0.44) IDO1GPR35ALDH1A1DDX3XKCNK3
SCHEMBL333368 0.65
SCHEMBL4047674 0.64 KMT2A (0.76) IDO1ALDH1A1KMT2ACYP1A2
SCHEMBL3690365 0.64 MAPT (0.59) GPR35ALDH1A1DDX3XKCNK3KCNK9
SCHEMBL219895 0.63 TDP1 (0.61) IDO1GPR35ALDH1A1DDX3XKCNK3

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
US-11369944-B2 Organic polymer compositions for removal of oxoanions from aqueous solutions UT-BATTELLE, LLC (US) 2022-06-28 US disclosed
US-20200122118-A1 ORGANIC POLYMER COMPOSITIONS FOR REMOVAL OF OXOANIONS FROM AQUEOUS SOLUTIONS UT-BATTELLE, LLC 2020-04-23 US disclosed