SCHEMBL2146358

SCHEMBL2146358

NC(=Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
MCL1 Q07820 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.39
FBP1 P09467 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL5184996 0.81 CES1 (0.55) CES2CES1AKR1B1HIF1AALDH1A1
SCHEMBL10675970 0.79 MCL1 (0.44) CYP3A4CYP2C9GRIN1GRIN2BMCL1
SCHEMBL29720911 0.77 CYP3A4 (0.59) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL8286966 0.77 MCL1 (0.42) CYP3A4CYP2C9GRIN1GRIN2BMCL1
SCHEMBL3473792 0.77 CES1 (0.46) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL31568852 0.77 CTSL (0.47) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL18768682 0.77 CES2 (0.46) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL28105611 0.77 FBP1 (0.45) CYP3A4CYP2C9GRIN1GRIN2BMCL1
SCHEMBL4776145 0.76 CYP3A4 (0.73) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL6432268 0.76 CYP3A4 (0.73) CYP3A4CYP2C9CES2CES1AKR1B1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001816-A4 PERFLUORINATED-ETHER COMPOSITIONS AS DIAGNOSTIC CONTRAST AGENTS IMARX PHARMACEUTICAL CORP (US) 2002-07-17 EP claimed
EP-1001816-A1 PERFLUORINATED-ETHER COMPOSITIONS AS DIAGNOSTIC CONTRAST AGENTS IMARX PHARMACEUTICAL CORP. (US) 2000-05-24 EP claimed
WO-1998023298-A1 PERFLUORINATED-ETHER COMPOSITIONS AS DIAGNOSTIC CONTRAST AGENTS IMARX PHARMACEUTICAL CORP. (US) 1998-06-04 WO claimed
CN-114749160-B Adsorption material for efficiently and stably removing aldehydes in epoxypropane and preparation method thereof 福州大学 2023-06-16 CN disclosed
CN-114749160-A Adsorbing material for efficiently and stably removing aldehydes in epoxypropane and preparation method thereof 福州大学 2022-07-15 CN disclosed
CN-107847445-A Encapsulated gas or partial vacuum CT contrast material 加利福尼亚大学董事会 2018-03-27 CN disclosed
EP-3129464-A2 METHODS, COMPOSITIONS, AND SYSTEMS FOR ACTIVATION AND EXPANSION OF CELLS The Trustees of Columbia University in the City of New York (US) 2017-02-15 EP disclosed
WO-2015157664-A2 METHODS, COMPOSITIONS, AND SYSTEMS FOR ACTIVATION AND EXPANSION OF CELLS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-10-15 WO disclosed
WO-2011087521-A1 CHEMILUMINESCENT DYES AND DYE-STAINED PARTICLES UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-07-21 WO disclosed
EP-0930844-B8 IMPROVED METHODS FOR DIAGNOSTIC IMAGING BY REGULATING THE ADMINISTRATION RATE OF A CONTRAST AGENT LANTHEUS MEDICAL IMAGING INC (US) 2008-11-26 EP disclosed
CN-1662487-A Amide linker peroxisome proliferator-activated receptor modulators LILLY CO ELI (US) 2005-08-31 CN disclosed
EP-0930844-A1 IMPROVED METHODS FOR DIAGNOSTIC IMAGING BY REGULATING THE ADMINISTRATION RATE OF A CONTRAST AGENT IMARX PHARMACEUTICAL CORP. (US) 1999-07-28 EP disclosed
WO-1999013919-A1 NOVEL TARGETED CONTRAST AGENTS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1999-03-25 WO disclosed
WO-1998050040-A1 NOVEL LIPID SOLUBLE STEROID PRODRUGS IMARX PHARMACEUTICAL CORP. (US) 1998-11-12 WO disclosed
WO-1998050041-A1 NOVEL PRODRUGS COMPRISING FLUORINATED AMPHIPHILES IMARX PHARMACEUTICAL CORP. (US) 1998-11-12 WO disclosed
WO-1998048838-A1 COMPOUNDS NYCOMED IMAGING AS (NO) 1998-11-05 WO disclosed
WO-1998042384-A1 METHODS FOR DELIVERING BIOACTIVE AGENTS IMARX PHARMACEUTICAL CORP. (US) 1998-10-01 WO disclosed
EP-0831932-A1 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1998-04-01 EP disclosed
WO-1997048337-A1 IMPROVED METHODS FOR DIAGNOSTIC IMAGING BY REGULATING THE ADMINISTRATION RATE OF A CONTRAST AGENT IMARX PHARMACEUTICAL CORP. (US) 1997-12-24 WO disclosed
WO-1996040285-A1 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1996-12-19 WO disclosed