SCHEMBL3501336

SCHEMBL3501336

O=C(Cc1ccccc1I)OOC(=O)Cc1ccccc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
IDO1 P14902 2/20 0.45
TAAR1 Q96RJ0 1/20 0.42
MAPK8 P45983 1/20 0.42
ALDH1A1 P00352 2/20 0.38
AKR1B1 P15121 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.37
F12 P00748 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL30776972 0.84 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19IDO1
SCHEMBL3623804 0.84 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19IDO1
SCHEMBL5132516 0.81 PKM (0.56) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL3246425 0.80 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19IDO1
SCHEMBL23241571 0.80 MTNR1A (0.51) CYP1A2CYP2D6CYP2C9CYP2C19IDO1
SCHEMBL8419890 0.80 TSHR (0.59) CYP1A2CYP2D6CYP2C9CYP2C19IDO1
SCHEMBL314806 0.78 AKR1B1 (0.61) CYP1A2CYP2D6CYP2C9CYP2C19IDO1
SCHEMBL30561548 0.78 AKR1B1 (0.61) CYP1A2CYP2D6CYP2C9CYP2C19IDO1
SCHEMBL2311723 0.78 ALDH1A1 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19IDO1
SCHEMBL8387002 0.78 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100133117-A1 METHODS FOR ELECTROCHEMICAL DETECTION/QUANTIFICATION OF A NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
WO-2008097190-A1 METHODS OF ELECTRICALLY DETECTING A NUCLEIC ACID BY MEANS OF AN ELECTRODE PAIR AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-08-14 WO disclosed
WO-2008018833-A1 METHODS FOR ELECTROCHEMICAL DETECTION/QUANTIFICATION OF A NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-02-14 WO disclosed
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed