SCHEMBL8745401

SCHEMBL8745401

NC(Cc1ccc(Oc2ccc(O)cc2)c(Br)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 2/20 0.58
SLC7A5 Q01650 2/20 0.57
PPARG P37231 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NR1I2 O75469 1/20 0.56
AGTR2 P50052 1/20 0.56
BLM P54132 1/20 0.56
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
EGFR P00533 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALOX15 P16050 1/20 0.54
PTGS1 P23219 1/20 0.54
HTR2A P28223 1/20 0.54
PTGS2 P35354 1/20 0.54
RECQL P46063 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL8745404 1.00 PCNA (0.58) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL28502876 0.88 SLC7A5 (0.62) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL28502877 0.88 SLC7A5 (0.62) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL30114468 0.85 MEN1 (0.77) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL677650 0.85 MEN1 (0.77) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL29397778 0.85 MEN1 (0.77) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL8329881 0.85 MEN1 (0.77) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL1170097 0.85 MEN1 (0.77) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL8745418 0.84 PCNA (0.72) PCNASLC7A5PPARGMEN1KMT2A
SCHEMBL7630334 0.84 PCNA (0.72) PCNASLC7A5PPARGMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612308-B1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES HENNING BERLIN GMBH (DE) 1997-02-05 EP disclosed
EP-0612308-A1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES. HENNING BERLIN GMBH (DE) 1994-08-31 EP disclosed
WO-1993009076-A1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES HENNING BERLIN GMBH CHEMIE- UND PHARMAWERK (DE) 1993-05-13 WO disclosed