SCHEMBL8085807

SCHEMBL8085807

COc1nc2cc(Cl)cc(I)c2nc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
NR1I3 Q14994 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CRHR1 P34998 2/20 0.31
PTGES O14684 1/20 0.30
HDAC3 O15379 1/20 0.30
APP P05067 1/20 0.30
ACHE P22303 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL5973850 0.80 POLB (0.37) HRH4NR1I3KDM4EMEN1KMT2A
SCHEMBL8086041 0.75 TDP1 (0.36)
SCHEMBL5973965 0.75 HRH4 (0.33) HRH4NR1I3KDM4EMEN1KMT2A
SCHEMBL7676206 0.74 HRH4 (0.38) HRH4NR1I3GSK3BPTGES
SCHEMBL27513154 0.72 HRH4 (0.32) HRH4NR1I3CRHR1PTGES
SCHEMBL27529467 0.70 NQO2 (0.43) HRH4NR1I3KDM4EMEN1KMT2A
SCHEMBL8086933 0.70 SIRT2 (0.35) HRH4
SCHEMBL8086008 0.70 TLR8 (0.34) HRH4KDM4EKMT2ACRHR1
SCHEMBL6306591 0.69 HRH4 (0.60) HRH4NR1I3KDM4EMEN1KMT2A
SCHEMBL14126693 0.69 RXFP1 (0.41) KDM4ENPC1RAB9A

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
CN-1137886-C 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives ��˹��ŵ�� 2004-02-11 CN disclosed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
CN-1194649-A Quinoxaline-and quinoxalinylalkane-phosphonic acids NOVARTIS AG (CH) 1998-09-30 CN disclosed
CN-1193968-A 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives NOVARTIS AG (CH) 1998-09-23 CN disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
EP-0837864-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS Novartis AG (CH) 1998-04-29 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed
WO-1997003079-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS NOVARTIS AG (CH) 1997-01-30 WO disclosed