SCHEMBL1024496

SCHEMBL1024496

C[CH]Cc1ccncc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL151828 0.80 LOXL2 (0.48)
SCHEMBL9154630 0.80 ALDH1A1 (0.39)
SCHEMBL5495225 0.78 CYP3A4 (0.55)
SCHEMBL27525586 0.77 CYP1A2 (0.43)
SCHEMBL272745 0.76
SCHEMBL6609419 0.76
SCHEMBL27577717 0.75 CYP3A4 (0.46)
SCHEMBL27533246 0.75 LOXL2 (0.50)
Bromide SCHEMBL9249645 0.74 CYP3A4 (0.50)
SCHEMBL7940321 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITETET I OSLO (NO) 2013-02-28 US claimed
EP-2533775-A1 CARBONIC ANHYDRASE INHIBITORS Universita' Degli Studi di Firenze (IT) 2012-12-19 EP claimed
CN-102369188-A Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH 2012-03-07 CN claimed
WO-2011098610-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2011-08-18 WO claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
EP-3140310-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-03-15 EP disclosed
CN-105339371-A Thieno[3,2-d]pyrimidine-6-carboxamides and analogues as sirtuin modulators GLAXOSMITHKLINE LLC 2016-02-17 CN disclosed
WO-2015171430-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITETET I OSLO (NO) 2013-02-28 US disclosed
WO-1997049723-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACID TO CELLS GILEAD SCIENCES, INC. (US) 1997-12-31 WO disclosed
EP-0807118-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1997-11-19 EP disclosed
EP-0789695-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1997-08-20 EP disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 WO disclosed