SCHEMBL4820028

SCHEMBL4820028

CCCCCCCCOc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.52
CYP2C9 P11712 6/20 0.52
CYP2C19 P33261 6/20 0.52
CYP3A4 P08684 6/20 0.52
CYP1A2 P05177 6/20 0.52
CYP19A1 P11511 5/20 0.52
HPGD P15428 4/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
NR5A1 Q13285 1/20 0.49
RARB P10826 3/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL6956902 1.00 CYP2D6 (0.52) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL8959170 1.00 CYP2D6 (0.52) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL16837391 0.99 CYP2D6 (0.51) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13880484 0.99 CYP2D6 (0.51) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL1639885 0.99 CYP2D6 (0.51) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL6954855 0.95 CYP2D6 (0.56) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL6494392 0.89 RAB9A (0.56) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL6962658 0.83 TSHR (0.54) CYP2C9CYP2C19CYP1A2CYP19A1SMN1; SMN2
SCHEMBL6960023 0.83 TSHR (0.54) CYP2C9CYP2C19CYP1A2CYP19A1SMN1; SMN2
SCHEMBL702808 0.83 ALDH1A1 (0.53) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US disclosed
US-20080026135-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY 2008-01-31 US disclosed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US disclosed
US-7094902-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-22 US disclosed
US-20060155106-A1 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2006-07-13 US disclosed
CN-1764708-A Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES CO (US) 2006-04-26 CN disclosed
EP-1618169-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M Innovative Properties Company (US) 2006-01-25 EP disclosed
EP-1573789-A2 ELECTROACTIVE POLYMERS 3M Innovative Properties Company (US) 2005-09-14 EP disclosed
WO-2004102615-A2 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 WO disclosed
WO-2004096948-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO disclosed
US-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US disclosed
US-20040062930-A1 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US disclosed
US-20040062947-A1 Organic electroluminescent compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
EP-1322620-A1 BENZIMIDAZOLE AND INDOLE DERIVATIVES AS CRF RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
WO-2002028839-A1 BENZIMIDAZOLE AND INDOLE DERIVATIVES AS CRF RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-04-11 WO disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed