SCHEMBL61992

SCHEMBL61992

O=[N+]([O-])c1cnc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.43
LMNA P02545 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RECQL P46063 1/20 0.41
ALOX12 P18054 2/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
SLC2A1 P11166 1/20 0.40
AHR P35869 1/20 0.39
CYP1A2 P05177 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL27708875 0.91 ALDH1A1 (0.39) ALDH1A1MAPTLMNAKMT2AMEN1
Thiocyanic Acid SCHEMBL27763893 0.88 VCAM1 (0.40) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL28073579 0.75 ADRA2A (0.44) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL10113803 0.75 MAPT (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL11747969 0.75 CYP19A1 (0.44) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL438963 0.75 MAPT (0.64) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4056425 0.75 MAPT (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL6781137 0.75 TSHR (0.46) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL27879821 0.75 LMNA (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL594326 0.75 MEN1 (0.49) ALDH1A1MAPTLMNAKMT2AMEN1

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 1344 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229774-B 5-Nitropyrimidine functionalized carbon dot fluorescent probe and preparation method and application thereof 锦州医科大学 2025-06-17 CN claimed
CN-108164397-B Catechol derivative and its preparation method 暨南大学 2020-11-13 CN claimed
CN-108148005-B O-aminophenol derivatives and preparation method thereof 暨南大学 2020-04-14 CN claimed
CN-110407757-A A kind of synthetic method of 4,5,6- Triaminopyrimidine NANJING PURUIDA PHARMACEUTICAL TECH CO LTD 2019-11-05 CN claimed
CN-110372605-A Synthesis method of 2-methylthio-4, 6-dichloro-5-nitropyrimidine 南京普锐达医药科技有限公司 2019-10-25 CN claimed
CN-110343109-A A kind of dihydro pteridinone-sulfonic acid amide derivatives and its pharmaceutically acceptable salt, preparation method and its application 郑州大学 2019-10-18 CN claimed
CN-109503586-A A kind of dihydropteridine ketone BRD4 protein inhibitor, preparation method and applications 郑州大学 2019-03-22 CN claimed
CN-109293578-A A kind of preparation method of the chloro- 5- nitro-pyrimidine of 2,4- bis- 淮安万邦香料工业有限公司 2019-02-01 CN claimed
CN-108164397-A A kind of catechol derivatives and preparation method thereof 暨南大学 2018-06-15 CN claimed
CN-108148005-A A kind of o-amino phenol derivative and preparation method thereof 暨南大学 2018-06-12 CN claimed
CN-103408547-A Preparation method of tenofovir intermediate (R)-1-(6-aminopurine-9-yl)-2-propanol (I) SUZHOU MIRACPHARMA TECHNOLOGY CO LTD 2013-11-27 CN claimed
CN-102924455-A Synthetic method of famciclovir intermediate CHONGQING SHENGHUAXI PHARMA CO 2013-02-13 CN claimed
CN-102887899-A Novel chemical synthesis method for adenine UNIV YANGZHOU 2013-01-23 CN claimed
CN-102276537-B Preparation method of 2-cyan-5-amiopyrimidine UNIV SHANXI 2013-01-23 CN claimed
CN-102850331-A 4, 6-dichloro-2-methyl-5-(1-acetyl-2-imidazoline-2-yl)-aminopyrimidine preparation method FU AIQING 2013-01-02 CN claimed
CN-102127081-B Preparation method of adenine WUHAN INST TECHNOLOGY 2012-11-28 CN claimed
CN-102276537-A Preparation method of 2-cyan-5-amiopyrimidine UNIV SHANXI 2011-12-14 CN claimed
CN-102127081-A Preparation method of adenine WUHAN INST TECHNOLOGY 2011-07-20 CN claimed
CN-101219997-B Synthesis of 2-chlorine-5- amido pyrimidine Suzhou bohong chemical technology co ltd 2011-04-20 CN claimed
CN-101219997-A Synthesis of 2-chlorine-5- amido pyrimidine SUZHOU YIELD PHARMACEUTICAL R (CN) 2008-07-16 CN claimed