SCHEMBL4522241

SCHEMBL4522241

O=C(NCC1CCCCC1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.76
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
HDAC6 Q9UBN7 2/20 0.66
MLYCD O95822 1/20 0.66
CA2 P00918 1/20 0.64
EPHX1 P07099 1/20 0.62
POLB P06746 1/20 0.62
CTSL P07711 1/20 0.61
CTSB P07858 1/20 0.61
CTSK P43235 1/20 0.61
MMP13 P45452 1/20 0.61
HPGD P15428 1/20 0.59
NPC1 O15118 1/20 0.58
HDAC3 O15379 1/20 0.58
NAMPT P43490 1/20 0.58
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL25123079 1.00 SMN1; SMN2 (0.76) SMN1; SMN2MEN1KMT2AHDAC6MLYCD
SCHEMBL8395225 1.00 SMN1; SMN2 (0.76) SMN1; SMN2MEN1KMT2AHDAC6MLYCD
SCHEMBL8391563 0.98 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AHDAC6MLYCD
Methyl Alcohol SCHEMBL11518093 0.97 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AHDAC6MLYCD
SCHEMBL8393362 0.95 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2AHDAC6MLYCD
SCHEMBL2303341 0.91 HDAC3 (0.64) SMN1; SMN2MEN1KMT2AHDAC6CTSL
SCHEMBL10722498 0.91 HDAC6 (0.77) SMN1; SMN2MEN1KMT2AHDAC6MLYCD
SCHEMBL8167653 0.91 HDAC6 (0.69) SMN1; SMN2MEN1KMT2AHDAC6MLYCD
SCHEMBL21450578 0.89 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AHDAC6MLYCD
SCHEMBL9938762 0.89 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2AHDAC6MLYCD

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
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed
CN-118771989-A Method for catalyzing hydrosilation reduction of amide into amine by using tridentate nitrogen ligand manganese complex 浙江工业大学 2024-10-15 CN disclosed
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed
EP-3820850-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-05-19 EP disclosed
WO-2020011816-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 WO disclosed
CN-106554290-B The method for preparing amide compound as acylating reagent by 2- diazonium -1,3- dicarbonyl compounds 山西师范大学 2018-09-25 CN disclosed
CN-105016938-B Method for preparing N-alkyl amide 南京理工大学 2017-04-19 CN disclosed
CN-106554290-A The method that amide compound is prepared as acylating reagent by 2 diazonium, 1,3 dicarbonyl compound 山西师范大学 2017-04-05 CN disclosed
EP-1786773-B1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RES TECH LTD (GB) 2017-03-01 EP disclosed
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 EP disclosed
WO-2006048330-A1 11ΒΕΤΑ-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 WO disclosed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US disclosed
WO-2006024837-A1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-09 WO disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 WO disclosed
EP-1087940-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-04 EP disclosed
WO-1999067203-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed