SCHEMBL11198581

SCHEMBL11198581

Nc1cc(C[C@H](N)C(=O)O)cc(I)c1Oc1ccc(O)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 5/20 0.86
THRB P10828 9/20 0.67
THRA P10827 6/20 0.67
LMNA P02545 4/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
PPARG P37231 3/20 0.67
CYP2D6 P10635 1/20 0.67
TSHR P16473 1/20 0.67
GABRP O00591 1/20 0.67
GABRD O14764 1/20 0.67
ABCB11 O95342 1/20 0.67
F2 P00734 1/20 0.67
GABRA1 P14867 1/20 0.67
GABRB1 P18505 1/20 0.67
GABRG2 P18507 1/20 0.67
GABRB3 P28472 1/20 0.67
ADORA1 P30542 1/20 0.67
GABRA5 P31644 1/20 0.67
GABRA3 P34903 1/20 0.67

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
SCHEMBL445767 0.92 PCNA (1.00) PCNATHRBTHRALMNAMEN1
SCHEMBL428139 0.92 PCNA (1.00) PCNATHRBTHRALMNAMEN1
SCHEMBL1487713 0.92 PCNA (1.00) PCNATHRBTHRALMNAMEN1
Water SCHEMBL28780882 0.91 PCNA (0.97) PCNATHRBTHRALMNAMEN1
Water SCHEMBL28780879 0.91 PCNA (0.97) PCNATHRBTHRALMNAMEN1
SCHEMBL4439595 0.91 PCNA (0.97) PCNATHRBTHRALMNAMEN1
SCHEMBL19048382 0.87 PCNA (0.84) PCNATHRBTHRALMNAMEN1
SCHEMBL5124875 0.85 PCNA (0.81) PCNATHRBTHRALMNAMEN1
Azobenzene SCHEMBL11883187 0.84 PCNA (0.82) PCNATHRBTHRALMNAMEN1
SCHEMBL31160348 0.84 PCNA (0.78) PCNATHRBTHRALMNAMEN1

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
EP-0079489-A1 Methotrexate-labeled iodothyronine conjugates and method, reagent means and test device for the determination of iodothyronine in or iodothyronine uptake of a liquid sample MILES LABORATORIES, INC. (US) 1983-05-25 EP disclosed