SCHEMBL194644

SCHEMBL194644

NC(Cc1ccccc1)c1c[nH]nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
EPHX1 P07099 1/20 0.44
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP2D6 P10635 2/20 0.39
ANPEP P15144 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2652668 0.81 CYP1A2 (0.39) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL1715656 0.80 SRR (0.40) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL2652667 0.79 CYP1A2 (0.38) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL19526 0.78 CYP1A2 (0.37) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL20262079 0.76 EPHX1 (0.55) CYP1A2EPHX1ALDH1A1L3MBTL1MEN1
SCHEMBL10632921 0.76 CYP1A2 (0.36) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL10793187 0.74 CYP1A2 (0.35) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL1369775 0.74 SIGMAR1 (0.37) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL16836843 0.74 CYP1A2 (0.50) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL9525219 0.73 DPP4 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110100009-B Method for chemical ligation of nucleic acids 伊鲁米那股份有限公司 2023-11-21 CN claimed
CN-112915211-B PD-L1 targeted peptide drug conjugate and synthetic method and application thereof 成都中医药大学 2022-05-06 CN claimed
CN-112915211-A PD-L1 targeted peptide drug conjugate and synthetic method and application thereof 成都中医药大学 2021-06-08 CN claimed
CN-112717141-A Acid-sensitive target polypeptide doxorubicin conjugate and synthesis method and application thereof 成都中医药大学 2021-04-30 CN claimed
CN-110100009-A The chemical connection process of nucleic acid 伊鲁米那股份有限公司 2019-08-06 CN claimed
CN-107648200-A A kind of preparation and application of the accurate switching mode neoplasm targeted therapy system of tumour cell 郑州大学 2018-02-02 CN claimed
CN-118715221-A Tricyclic compounds and uses thereof 希格生科(深圳)有限公司 2024-09-27 CN disclosed
WO-2024087251-A1 CYSTEINE-RESIDUE-SPECIFIC CHEMICAL PROBE, PREPARATION METHOD THEREFOR, AND USE THEREOF 南京科络思生物科技有限公司 2024-05-02 WO disclosed
CN-110100009-B Method for chemical ligation of nucleic acids 伊鲁米那股份有限公司 2023-11-21 CN disclosed
CN-107690582-B Apparatus and method for sample analysis 雅培制药有限公司 2023-10-20 CN disclosed
CN-115594649-A Cysteine residue specific chemical probe and preparation method and application thereof 南京科络思生物科技有限公司(CN) 2023-01-13 CN disclosed
CN-112717141-B Acid-sensitive target polypeptide doxorubicin conjugate and synthesis method and application thereof 成都中医药大学 2022-05-17 CN disclosed
CN-112915211-B PD-L1 targeted peptide drug conjugate and synthetic method and application thereof 成都中医药大学 2022-05-06 CN disclosed
WO-2010099273-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELLING GENENTECH, INC. (US) 2010-09-02 WO disclosed
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN disclosed
CN-101600683-A Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2009-12-09 CN disclosed
EP-2046810-A2 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS. UCL Business PLC (GB) 2009-04-15 EP disclosed
EP-1996938-A2 IMMOBILIZED PROTEINS AND METHODS AND USES THEREOF University of Utah Research Foundation (US) 2008-12-03 EP disclosed
WO-2008001109-A2 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS UCL BUSINESS PLC (GB) 2008-01-03 WO disclosed
WO-2007112007-A2 IMMOBILIZED PROTEINS AND METHODS AND USES THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2007-10-04 WO disclosed