SCHEMBL1551584

SCHEMBL1551584

O=C(C[N+](=O)[O-])Nc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
ALOX5 P09917 1/20 0.56
HSD17B10 Q99714 1/20 0.55
KCNJ5 P48544 1/20 0.55
KCNJ3 P48549 1/20 0.55
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
EPHX2 P34913 1/20 0.52
PAX8 Q06710 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL28529684 0.83 ACP1 (0.51) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL5141417 0.81 MEN1 (0.71) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9670363 0.81 ALDH1A1 (0.69) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL29748804 0.80 MEN1 (0.65) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL333559 0.80 MEN1 (0.65) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11763476 0.80 KMT2A (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL733776 0.80 EPHX2 (0.53) MAPTALDH1A1HTTALOX5EPHX2
SCHEMBL8512871 0.79 CYP3A4 (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10995578 0.79 TSHR (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2777887 0.79 GAA (0.66) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103601684-B 5-arylseleno benzimidazoles compound and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-01-20 CN claimed
CN-102070466-A Preparation method of 5-chiorine-2-nitroaniline JUNKAI TIANJIN CHEMICAL CO LTD 2011-05-25 CN claimed
EP-1590332-B1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND THEIR DERIVATIVES. UNIV DELHI (IN) 2011-04-27 EP claimed
EP-1590332-A1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND ITS DERIVATIONS University of Delhi (IN) 2005-11-02 EP claimed
WO-2004063170-A1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND ITS DERIVATIONS UNIVERSITY OF DELHI (IN) 2004-07-29 WO claimed
CN-103601684-B 5-arylseleno benzimidazoles compound and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-01-20 CN disclosed
CN-103601684-A 5-arylselenobenzimidazole compound and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-02-26 CN disclosed
CN-102070466-A Preparation method of 5-chiorine-2-nitroaniline JUNKAI TIANJIN CHEMICAL CO LTD 2011-05-25 CN disclosed
CN-102070466-A Preparation method of 5-chiorine-2-nitroaniline JUNKAI TIANJIN CHEMICAL CO LTD 2011-05-25 CN disclosed
EP-1590332-B1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND THEIR DERIVATIVES. UNIV DELHI (IN) 2011-04-27 EP disclosed
EP-1590332-B1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND THEIR DERIVATIVES. UNIV DELHI (IN) 2011-04-27 EP disclosed
EP-1590332-A1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND ITS DERIVATIONS University of Delhi (IN) 2005-11-02 EP disclosed
EP-0147537-A1 Phenylguanidines SCHERING CORPORATION (US) 1985-07-10 EP disclosed
WO-1985001283-A1 PHENYLGUANIDINES SCHERING CORP. (US) 1985-03-28 WO disclosed
EP-0126294-A1 New diphenyl ethers having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1984-11-28 EP disclosed
US-4420487-A Diuretic and antihypertensive benzimidazoles THE PURDUE FREDERICK COMPANY (US) 1983-12-13 US disclosed
US-4258198-A ANTHELMINTICS SMITHKLINE CORPORATION (US) 1981-03-24 US disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4025638-A ANTHELMINTICS SMITHKLINE CORPORATION (US) 1977-05-24 US disclosed
US-3969526-A Anthelmintic 5-heterocycliothio and oxy-2-carbalkoxyaminobenzimidazles SMITHKLINE CORPORATION (US) 1976-07-13 US disclosed