SCHEMBL5800533

SCHEMBL5800533

CCOC(=O)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.71
CYP3A4 P08684 2/20 0.63
BAZ2B Q9UIF8 1/20 0.63
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
MITF O75030 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TBXAS1 P24557 1/20 0.56
ADH5 P11766 2/20 0.56
MAOB P27338 2/20 0.55
HPGD P15428 2/20 0.55
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53

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
Hydrochloric Acid SCHEMBL28276875 0.99 HTT (0.69) HTTCYP3A4BAZ2BALDH1A1MAPT
SCHEMBL4911316 0.91 HTT (0.64) HTTCYP3A4BAZ2BALDH1A1MAPT
SCHEMBL6536353 0.85 HTT (0.52) HTTCYP3A4BAZ2BALDH1A1MAPT
SCHEMBL9363673 0.84 HTT (0.61) HTTCYP3A4BAZ2BALDH1A1MAPT
SCHEMBL5089219 0.83 HTT (0.60) HTTCYP3A4BAZ2BALDH1A1MAPT
SCHEMBL4081415 0.83 L3MBTL1 (0.58) HTTALDH1A1MAPTKDM4EMEN1
SCHEMBL1022965 0.83 HTT (1.00) HTTCYP3A4BAZ2BALDH1A1MAPT
SCHEMBL5733855 0.81 HTT (0.61) HTTCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL10669398 0.81 MAPT (0.55) HTTCYP3A4BAZ2BALDH1A1MAPT
SCHEMBL2866252 0.81 IKBKB (0.53) HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 EP disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 US disclosed
WO-2006058535-A2 NOVEL N-HETEROCYCLIC PLATINUM AND PALLADIUM CARBENE COMPLEXES, PRODUCTION AND USE THEREOF FOR THE PARTIAL OXIDATION OF HYDROCARBONS Technische Universität Dresden (DE) 2006-06-08 WO disclosed
US-5849780-A 1-benzenesulfonyl-1-1,3-dihydroindol-2-one derivatives, their preparation and pharmaceutical compositions in which they are present SANOFI (FR) 1998-12-15 US disclosed
US-5834471-A Amide derivatives as 5HT1D receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
US-5726322-A 1-benzenesulfonyl-1,3-dihydroindol-2-one derivatives, their preparation and pharmaceutical compositions in which they are present SANOFI (FR) 1998-03-10 US disclosed
US-5686624-A 1-benzenesulfonyl-1,3-dihydro-indol-2-one derivatives, their preparation and pharmaceutical compositions in which they are present SANOFI (FR) 1997-11-11 US disclosed
US-5663431-A CHEMICAL INTERMEDIATES SANOFI (FR) 1997-09-02 US disclosed
EP-0712397-A1 AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-22 EP disclosed
EP-0496237-B1 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA SPA (IT) 1996-02-14 EP disclosed
US-5294621-A Thieno tetrahydropyridines useful as class III antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-03-15 US disclosed
US-5246957-A Thromboxane A2 synthesis for cardiovascular disorders FARMITALIA CARLO ERBA S.R.L. (IT) 1993-09-21 US disclosed
US-5238953-A Thromboxane a2 antagonist FARMITALIA CARLO ERBA S.R.L. (IT) 1993-08-24 US disclosed
EP-0510398-A2 N-Imidazolyl derivatives of substituted indole PHARMACIA S.p.A. (IT) 1992-10-28 EP disclosed
US-5137896-A Useful in treatment of gastrointestinal and psychic disorder; analgesic, antiemetic and antiulcer agent JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-11 US disclosed
EP-0496237-A2 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA S.p.A. (IT) 1992-07-29 EP disclosed
US-5057525-A Stimulators of gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-15 US disclosed
US-4962115-A Stimulate motility of gastrointestinal system JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-09 US disclosed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP disclosed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 EP disclosed