SCHEMBL3799173

SCHEMBL3799173

O=[N+]([O-])c1ccccc1N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.65
AR P10275 1/20 0.65
HTT P42858 3/20 0.64
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 9/20 0.62
MAPT P10636 8/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
CYP1A2 P05177 3/20 0.62
CYP2C19 P33261 3/20 0.62
ALDH1A3 P47895 1/20 0.61
MAPK1 P28482 4/20 0.60
LMNA P02545 4/20 0.60
POLB P06746 3/20 0.60
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
MITF O75030 2/20 0.56
CCR6 P51684 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2C9 P11712 2/20 0.56

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
SCHEMBL29937743 1.00 CTSB (0.65) CTSBARHTTKMT2AALDH1A1
SCHEMBL3292356 0.98 GAA (0.63) CTSBARHTTKMT2AALDH1A1
SCHEMBL29738367 0.98 GAA (0.63) CTSBARHTTKMT2AALDH1A1
SCHEMBL7118705 0.96 HTT (0.64) CTSBARHTTKMT2AALDH1A1
SCHEMBL1274938 0.92 HTT (0.73) CTSBARHTTKMT2AALDH1A1
Acetamide SCHEMBL28113497 0.87 ALDH1A1 (0.60) CTSBARHTTKMT2AALDH1A1
SCHEMBL3435076 0.85 CTSB (0.65) CTSBARHTTKMT2AALDH1A1
SCHEMBL12932461 0.85 HTT (0.61) HTTKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3055471 0.85 MAPT (0.60) CTSBARHTTKMT2AALDH1A1
SCHEMBL14206650 0.84 HTT (0.52) CTSBARHTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021209490-A1 CYCLAMINEPHENYLAMINOQUINOLINES AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-10-21 WO disclosed
CN-111606926-B Preparation method of benzimidazole [1,3] azathiazepine compound 大连理工大学 2021-10-15 CN disclosed
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed
CN-111606926-A Preparation method of benzimidazole [1,3] azathia compounds 大连理工大学 2020-09-01 CN disclosed
CN-104871036-B Method for making improved UV-absorbing ophthalmic lenses 诺华股份有限公司 2019-12-10 CN disclosed
EP-3542193-A1 METHOD FOR MAKING OPHTHALMIC LENSES Novartis AG (CH) 2019-09-25 EP disclosed
US-10338408-B2 Method for making improved UV-absorbing ophthalmic lenses NOVARTIS AG (CH) 2019-07-02 US disclosed
US-20180141293-A1 METHOD FOR MAKING OPHTHALMIC LENSES ALCON INC. (CH) 2018-05-24 US disclosed
CN-105037386-B Tetrahydrobenzo [ c ] [1,2,5] oxadiazine compound and preparation method thereof 大连理工大学 2017-10-24 CN disclosed
EP-2932314-B1 METHOD FOR MAKING IMPROVED UV-ABSORBING OPHTHALMIC LENSES NOVARTIS AG (CH) 2017-02-01 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
EP-1462453-A1 Paraphenylenediamin derivatives comprising a substituted pyrrolidinyl group and bearing a cationic radical as well as their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-29 EP disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed
EP-0444944-B1 Synthesis and elucidation of azamitosene and iminoazamitosene RES CORP TECHNOLOGIES INC (US) 1997-09-24 EP disclosed
US-5246955-A Pyrrolo(1,2-a)benzimidazole 5,8-diones, antitumor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-09-21 US disclosed
EP-0449649-A2 Antineoplastic quinones and methods of using same RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-02 EP disclosed
EP-0444944-A2 Synthesis and elucidation of azamitosene and iminoazamitosene RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-09-04 EP disclosed
US-5015742-A Antitumor agents ARIZONA BOARD OF REGENTS (US) 1991-05-14 US disclosed