SCHEMBL4636749

SCHEMBL4636749

N=C(N)Cc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.48
PLAU P00749 1/20 0.48
THPO P40225 1/20 0.48
CYP3A4 P08684 2/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NOS1 P29475 2/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS3 P35030 2/20 0.46
APEX1 P27695 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
NPC1 O15118 1/20 0.41

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
SCHEMBL16275249 0.82 NOS1 (0.48) PLAUCYP3A4GFERNOS1F2
SCHEMBL1520205 0.80 CA2 (0.60) ALDH1A1TDP1HTR3EHTR3BHTR3A
SCHEMBL2700841 0.80 LOXL2 (0.60) PLAUNOS1F2PRSS1PRSS3
Hydrochloric Acid SCHEMBL11144849 0.78 CA2 (0.58) ALDH1A1TDP1HTR3EHTR3BHTR3A
SCHEMBL799651 0.78 HTR3E (0.59) TDP1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20008634 0.78 IDO1 (0.57) PLAUALDH1A1NOS1F2PRSS1
Hydrochloric Acid SCHEMBL31314478 0.78 LOXL2 (0.58) PLAUNOS1LOXL2HTR3EHTR3B
SCHEMBL183375 0.78 IDO1 (0.57) ALDH1A1TDP1NOS1APEX1LOXL2
SCHEMBL8842456 0.78 IDO1 (0.57) NOS1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15149754 0.78 HTR3E (0.44) CYP3A4NOS1F2PRSS1PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937843-A1 POLYMORPHISMS IN PONl ARE ASSOCIATED WITH ELEVATED ALANINE AMINOTRANSFERASE LEVELS AFTER XIMELAGATRAN OR TACRINE ADMINISTRATION Astra Zeneca AB (SE) 2008-07-02 EP disclosed
EP-1937841-A1 POLYMORPHISMS IN MGST3 ARE ASSOCIATED WITH ELEVATED ALAT LEVELS AFTER XIMELAGATRAN TREATMENT Astra Zeneca AB (SE) 2008-07-02 EP disclosed
EP-1934371-A1 SNPS IN THE APOB GENE AND SUSCEPTIBILITY TO INCREASED LEVELS OF ALAT FOLLOWING XIMELAGATRAN ADMINISTRATION AstraZeneca AB (SE) 2008-06-25 EP disclosed
WO-2007039722-A1 POLYMORPHISMS IN PONl ARE ASSOCIATED WITH ELEVATED ALANINE AMINOTRANSFERASE LEVELS AFTER XIMELAGATRAN OR TACRINE ADMINISTRATION ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007039718-A1 POLYMORPHISMS IN MGST3 ARE ASSOCIATED WITH ELEVATED ALAT LEVELS AFTER XIMELAGATRAN TREATMENT ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007039724-A1 SNPS IN THE APOB GENE AND SUSCEPTIBILITY TO INCREASED LEVELS OF ALAT FOLLOWING XIMELAGATRAN ADMINISTRATION ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
EP-1581255-A1 AN ACQUEOUS PHARMACEUTICAL FORMULATION COMPRISING THE THROMBIN INHIBITOR MELAGATRAN AND USE OF THE FORMULATION IN THE MANUFACTURE OF A MEDICAMENT FOR USE BY NASAL ADMINISTRATION IN TREATING THROMBOEMBOLISM AstraZeneca AB (SE) 2005-10-05 EP disclosed
WO-2004043486-A1 AN ACQUEOUS PHARMACEUTICAL FORMULATION COMPRISING THE THROMBIN INHIBITOR MELAGATRAN AND USE OF THE FORMULATION IN THE MANUFACTURE OF A MEDICAMENT FOR USE BY NASAL ADMINISTRATION IN TREATING THROMBOEMBOLISM ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
US-6399658-B1 REDUCING DRUG SIDE EFFECT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2002-06-04 US disclosed
EP-1181048-A1 A PHARMACEUTICAL FORMULATION CONTAINING AN INHIBITOR OF CARBOXYPEPTIDASE U AND A THROMBIN INHIBITOR AstraZeneca AB (SE) 2002-02-27 EP disclosed
EP-1015022-A1 NEW IMPROVED FORMULATION FOR TREATMENT OF THROMBOEMBOLISM AstraZeneca AB (SE) 2000-07-05 EP disclosed
EP-1004304-A1 COMPOSITION CONTAINING ASCORBIC ACID SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-05-31 EP disclosed
EP-0910573-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-04-28 EP disclosed
WO-1998016252-A1 NEW PHARMACEUTICAL PARENTERAL FORMULATION OF A THROMBIN INHIBITOR ASTRA AKTIEBOLAG (SE) 1998-04-23 WO disclosed
WO-1997046577-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-12-11 WO disclosed
WO-1997045138-A1 NEW IMPROVED FORMULATION FOR TREATMENT OF THROMBOEMBOLISM ASTRA AKTIEBOLAG (PUBL) (SE) 1997-12-04 WO disclosed
WO-1997039770-A1 NEW PHARMACEUTICAL FORMULATION OF A THROMBIN INHIBITOR FOR PARENTERAL USE ASTRA AKTIEBOLAG (SE) 1997-10-30 WO disclosed
EP-0799052-A1 NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF Astra Aktiebolag (SE) 1997-10-08 EP disclosed
WO-1996016671-A1 NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF ASTRA AKTIEBOLAG (SE) 1996-06-06 WO disclosed
EP-0701568-A1 NEW PEPTIDE DERIVATIVES Astra Aktiebolag (SE) 1996-03-20 EP disclosed