SCHEMBL4435837

SCHEMBL4435837

O=C1CN=Cc2ccsc2N1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL2019073 0.69
SCHEMBL7059019 0.68 CES1 (0.35)
SCHEMBL613060 0.67 GABRA1 (0.44) ALDH1A1GAA
SCHEMBL11498457 0.67 NISCH (0.35)
SCHEMBL2464690 0.65
SCHEMBL6626771 0.63
SCHEMBL10373736 0.63 GABRA1 (0.30)
SCHEMBL11412815 0.62 AHR (0.49) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL31125018 0.62 NPC1 (0.44) ALDH1A1HPGD
SCHEMBL7089809 0.62 GABRA1 (0.60) ALDH1A1HPGDMEN1KMT2ANPSR1

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
EP-1740156-B8 METHOD FOR THE PRODUCTION OF AN ABUSE-PROOF, SOLID FORM OF ADMINISTRATION GRUENENTHAL GMBH (DE) 2012-07-11 EP disclosed
EP-2131830-A2 PHARMACEUTICAL FORM WITH IMPEDED ABUSE Grünenthal GmbH (DE) 2009-12-16 EP disclosed
EP-1996172-A1 PLASTER PACKAGING Grünenthal GmbH (DE) 2008-12-03 EP disclosed
EP-1996171-A1 EASY-TO-HANDLE PLASTER CONTAINING AN ACTIVE SUBSTANCE Grünenthal GmbH (DE) 2008-12-03 EP disclosed
WO-2008107149-A2 PHARMACEUTICAL FORM WITH IMPEDED ABUSE Grünenthal GmbH (DE) 2008-09-12 WO disclosed
EP-1928436-A2 APPLICATION SYSTEM FOR A PLASTER CONTAINING AN ACTIVE INGREDIENT AND A CONTROLLED-RELEASE AGENT FOR SAID ACTIVE INGREDIENT Grünenthal GmbH (DE) 2008-06-11 EP disclosed
EP-1845956-A1 BREAK-RESISTANT DELAYED-RELEASE FORMS OF ADMINISTRATION Grünenthal GmbH (DE) 2007-10-24 EP disclosed
EP-1845955-A1 METHOD FOR THE PRODUCTION OF A TAMPER-PROOF FORM OF ADMINISTRATION Grünenthal GmbH (DE) 2007-10-24 EP disclosed
WO-2007101659-A1 EASY-TO-HANDLE PLASTER CONTAINING AN ACTIVE SUBSTANCE Grünenthal GmbH (DE) 2007-09-13 WO disclosed
WO-2007101660-A1 PLASTER PACKAGING Grünenthal GmbH (DE) 2007-09-13 WO disclosed
WO-2005102294-A2 TRANSDERMAL SYSTEM SECURED AGAINST MISUSE Grünenthal GmbH (DE) 2005-11-03 WO disclosed
WO-2005102270-A2 AGENT-RELEASING SYSTEM COMPRISING AN AGENT-CONTAINING PATCH AND AT LEAST ONE MEANS REGULATING THE RELEASE OF AGENTS Grünenthal GmbH (DE) 2005-11-03 WO disclosed
WO-2005102286-A1 METHOD FOR THE PRODUCTION OF AN ABUSE-PROOF, SOLID FORM OF ADMINISTRATION Grünenthal GmbH (DE) 2005-11-03 WO disclosed
EP-1558257-A1 DOSAGE FORM THAT IS SAFEGUARDED FROM ABUSE Grünenthal GmbH (DE) 2005-08-03 EP disclosed
WO-2005063214-A1 METHOD FOR THE PRODUCTION OF AN ADMINISTRATION FORM WHICH IS SECURED AGAINST MISUSE Grünenthal GmbH (DE) 2005-07-14 WO disclosed
EP-1515702-A1 ABUSE-PROTECTED ADMINISTRATION FORM Grünenthal GmbH (DE) 2005-03-23 EP disclosed
WO-2005016313-A1 DOSAGE FORM THAT IS SAFEGUARDED FROM ABUSE Grünenthal GmbH (DE) 2005-02-24 WO disclosed
WO-2005016314-A1 FORM OF ADMINISTRATION SECURED AGAINST MISUSE Grünenthal GmbH (DE) 2005-02-24 WO disclosed
WO-2004037259-A1 DOSAGE FORM THAT IS SAFEGUARDED FROM ABUSE Grünenthal GmbH (DE) 2004-05-06 WO disclosed
WO-2003105808-A1 ABUSE-PROTECTED ADMINISTRATION FORM Grünenthal GmbH (DE) 2003-12-24 WO disclosed