SCHEMBL31368013

SCHEMBL31368013

N[C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1I)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 5/20 0.71
THRB P10828 9/20 0.55
THRA P10827 6/20 0.55
LMNA P02545 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PPARG P37231 3/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
ABCB11 O95342 1/20 0.55
F2 P00734 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
ADORA1 P30542 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55

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
SCHEMBL34943 1.00 PCNA (0.71) PCNATHRBTHRALMNAMEN1
SCHEMBL2679290 0.99 PCNA (0.70) PCNATHRBTHRALMNAMEN1
SCHEMBL5501440 0.99 PCNA (0.70) PCNATHRBTHRALMNAMEN1
Sulfuric Acid SCHEMBL2513306 0.96 PCNA (0.67) PCNATHRBTHRALMNAMEN1
SCHEMBL1487713 0.83 PCNA (1.00) PCNATHRBTHRALMNAMEN1
SCHEMBL445767 0.83 PCNA (1.00) PCNATHRBTHRALMNAMEN1
SCHEMBL428139 0.83 PCNA (1.00) PCNATHRBTHRALMNAMEN1
SCHEMBL1115191 0.83 PCNA (0.52) PCNATHRBTHRALMNAMEN1
SCHEMBL4926016 0.83 PCNA (0.52) PCNATHRBTHRALMNAMEN1
SCHEMBL21243780 0.83 PCNA (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705283-A1 IMIDAZOLYL BINDS WITH DINITROPHENYL DERIVATIVES AND USE THEREOF Beijing Double-Crane Runchuang Technology Co., Ltd. (CN) 2026-03-11 EP disclosed
WO-2024250904-A1 IMIDAZOLYL BINDS WITH DINITROPHENYL DERIVATIVES AND USE THEREOF Beijing Double-Crane Runchuang Technology Co., Ltd. (CN) 2024-12-12 WO disclosed