SCHEMBL5987630

SCHEMBL5987630

CC([C]=O)c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ACHE P22303 1/20 0.36
GRIA4 P48058 1/20 0.36
APP P05067 1/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
CYP3A4 P08684 3/20 0.33
TP53 P04637 2/20 0.33
TYR P14679 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.32

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
SCHEMBL10585660 0.87 TYR (0.35) TYR
SCHEMBL4831620 0.78 CHRNA7 (0.41) MEN1KMT2AACHEGRIA4ALDH1A1
SCHEMBL911297 0.78 CHRNA7 (0.41) MEN1KMT2AACHEGRIA4ALDH1A1
SCHEMBL96816 0.76 ADRB2 (0.50) MEN1KMT2AGAAHIF1ATDP1
SCHEMBL4145904 0.76 MEN1 (0.38) MEN1MAPTKMT2AACHEGRIA4
SCHEMBL28370167 0.76 TYR (0.43) MEN1MAPTKMT2AACHEGRIA4
SCHEMBL6141138 0.76 IDO1 (0.38) ACHEALDH1A1GAAHTTTDP1
SCHEMBL582044 0.76 ESR1 (0.54) MEN1MAPTKMT2AALDH1A1HIF1A
SCHEMBL3151083 0.75 MIF (0.41) ALDH1A1HIF1ALMNA
SCHEMBL8711629 0.75 MIF (0.41) ALDH1A1HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP claimed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO claimed
EP-0560267-B1 Isosteric antiherpes peptide derivatives BOEHRINGER INGELHEIM CA LTD (CA) 1998-08-19 EP claimed
EP-0767671-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1997-04-16 EP claimed
US-5574015-A Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-11-12 US claimed
CN-1096300-A Isosteric antiherpes peptide derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1994-12-14 CN claimed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 WO claimed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
EP-0560267-A1 Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP claimed
EP-0493770-A2 Antiherpes compositions BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1992-07-08 EP claimed
CN-113766954-A Camptothecin derivatives 伊缪诺金公司 2021-12-07 CN disclosed
CN-109843334-A The targeted delivery of nicotinamide adenine dinucleotide remedial pathway inhibitor 西雅图基因公司 2019-06-04 CN disclosed
CN-103533957-B The humanized antibody of anti-LIV-1 and the purposes in treatment cancer thereof 西雅图遗传学公司 2016-06-22 CN disclosed
CN-105517577-A Enzymatic conjugation of polypeptides INNATE PHARMA 2016-04-20 CN disclosed
CN-103533957-A Humanized antibodies to LIV-1 and use of same to treat cancer SEATTLE GENETICS INC 2014-01-22 CN disclosed
US-5574015-A Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-11-12 US disclosed
US-5552384-A Antiherpes compositions and method of use BIO-MEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-09-03 US disclosed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO disclosed
EP-0560267-A1 Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP disclosed
EP-0493770-A2 Antiherpes compositions BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1992-07-08 EP disclosed