SCHEMBL4319633

SCHEMBL4319633

C=Cc1ccc(Oc2nc(Cl)nc(Oc3c(C)cc(C)cc3C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GFER P55789 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PAX8 Q06710 1/20 0.30

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
SCHEMBL4319613 0.85 ALDH1A1 (0.33) MEN1ALDH1A1KMT2AAR
SCHEMBL49211 0.81 HSP90AA1 (0.53) HSP90AA1MEN1ALDH1A1KMT2AAR
SCHEMBL4307871 0.78 HSP90AA1 (0.53) HSP90AA1MEN1ALDH1A1KMT2AAR
SCHEMBL6670705 0.76 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AL3MBTL1GFER
SCHEMBL4321502 0.76 CYP1A2 (0.47) HSP90AA1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL20249067 0.72 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AARL3MBTL1
SCHEMBL9188392 0.72 HSP90AA1 (0.44) HSP90AA1MEN1KMT2A
SCHEMBL4319042 0.71 HSP90AA1 (0.41) HSP90AA1MEN1ALDH1A1KMT2A
SCHEMBL49631 0.70 HSP90AA1 (0.46) HSP90AA1ALDH1A1KMT2A
SCHEMBL18027841 0.69 ALDH1A1 (0.38) MEN1ALDH1A1KMT2AAR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423372-B1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-07-20 EP disclosed
US-7547749-B2 Triazine compounds, polymers comprising triazine structural units, and method SABIC INNOVATIVE PLATICS IP B.V. (NL) 2009-06-16 US disclosed
US-20080097040-A1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND METHOD GENERAL ELECTRIC COMPANY (US) 2008-04-24 US disclosed
US-7235611-B2 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY (US) 2007-06-26 US disclosed
US-20050192411-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC CO. 2005-09-01 US disclosed
EP-1423372-A2 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2004-06-02 EP disclosed
US-20030078347-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY 2003-04-24 US disclosed
WO-2003024939-A2 TRIAZINE COMPOUNDS POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2003-03-27 WO disclosed