SCHEMBL8086933

SCHEMBL8086933

COc1nc2cc(Cl)cc(CCCBr)c2nc1OC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.35
ADORA3 P0DMS8 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL27513154 0.91 HRH4 (0.32) HRH4
SCHEMBL8086008 0.86 TLR8 (0.34) SIRT2ADORA3HRH4
SCHEMBL5973965 0.85 HRH4 (0.33) HRH4
SCHEMBL27487604 0.83 SIRT2 (0.33) SIRT2
SCHEMBL27462046 0.75 NQO2 (0.39)
SCHEMBL27529469 0.74 CRHR1 (0.31)
SCHEMBL27535083 0.74 PKM (0.30)
SCHEMBL8615696 0.72
SCHEMBL5973850 0.72 POLB (0.37) ADORA3HRH4
SCHEMBL28742541 0.70

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