SCHEMBL3685535

SCHEMBL3685535

Oc1ccc(NCCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
MAPT P10636 6/20 0.44
GAA P10253 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 3/20 0.44
BLM P54132 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 2/20 0.44
THRB P10828 2/20 0.44
AGER Q15109 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PLEC Q15149 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL29098329 0.98 APP (0.47) APPMAPTGAAL3MBTL1ALDH1A1
SCHEMBL6323843 0.86 APP (0.46) APPMAPTGAAL3MBTL1ALDH1A1
SCHEMBL1161861 0.85 APP (0.55) APPMAPTGAAL3MBTL1ALDH1A1
SCHEMBL10499366 0.83 PRSS1 (0.47) APPMAPTGAAL3MBTL1ALDH1A1
SCHEMBL1947326 0.78 MEN1 (0.47) MAPTGAAALDH1A1MEN1HPGD
SCHEMBL271536 0.78 APP (0.50) APPMAPTGAAL3MBTL1ALDH1A1
SCHEMBL1950296 0.78 MAPT (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1947650 0.77 MAPT (0.38) MAPTGAAMEN1KMT2AAGER
SCHEMBL16245938 0.76 APP (0.48) APPMAPTGAAL3MBTL1ALDH1A1
SCHEMBL1950132 0.76 MAPT (0.41) APPMAPTGAAALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574960-B Docetaxel derivative and preparation method and application thereof 南京友怡医药科技有限公司 2023-03-21 CN claimed
CN-118076388-A Carrier for targeting beta-D-N-acetylglucosaminidase 国家科学研究中心 2024-05-24 CN disclosed
CN-109574960-B Docetaxel derivative and preparation method and application thereof 南京友怡医药科技有限公司 2023-03-21 CN disclosed
CN-114173877-A Novel therapeutic carriers and prodrugs for the treatment of cancer 施科友智能化学疗法公司 2022-03-11 CN disclosed
CN-110845452-A Cabazitaxel derivative and preparation method and application thereof 南京友怡医药科技有限公司 2020-02-28 CN disclosed
CN-107835817-A Esters of steroid amides and bis (2-chloroethyl) aminophenoxypropionic acid derivatives 格林尼卡股份公司 2018-03-23 CN disclosed
CN-105693673-B Containing 2,4 dinitrobenzenesulfonyl coumarin kind compounds and preparation method and application 华东理工大学 2017-11-14 CN disclosed
EP-2173385-A1 CHLOROTOXINS AS DRUG CARRIERS Transmolecular, Inc. (US) 2010-04-14 EP disclosed
WO-2009021136-A1 CHLOROTOXINS AS DRUG CARRIERS TRANSMOLECULAR, INC. (US) 2009-02-12 WO disclosed
CN-1188134-C Preparation having increased in vivo tolerability HOECHST AG (DE) 2005-02-09 CN disclosed
CN-1168733-C Novel prodrugs for therapy of tumors and inflammatory disorders ���ĵ�˹ҩ��¹����޹�˾ 2004-09-29 CN disclosed
CN-1095677-C Compound (I) ZENECA LTD (GB) 2002-12-11 CN disclosed
US-6303569-B1 POLYMERIC-BASED DOUBLE PRODRUGS HAVING REVERSIBLE LINKAGES INVOLVING AMINO OR HYDROXYL MOIETIES OF CHEMICAL COMPOUNDS AND BIOLOGICALLY ACTIVE MATERIALS SUCH AS ENZYMES, PROTEINS ENZON, INC. 2001-10-16 US disclosed
CN-1199613-A Preparation having increased in vivo tolerability HOECHST AG (DE) 1998-11-25 CN disclosed
CN-1171054-A Compound (I) ZENECA LTD (GB) 1998-01-21 CN disclosed
CN-1163895-A Novel prodrugs for therapy of tumors and inflammatory disorders HOECHST AG (DE) 1997-11-05 CN disclosed