SCHEMBL8086079

SCHEMBL8086079

COc1nc2cc(Br)cc(CNCC(=O)OC(C)(C)C)c2nc1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.35
VSIR Q9H7M9 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPRC P08575 2/20 0.31
CALCA P06881 1/20 0.31
S1PR1 P21453 1/20 0.30
GAA P10253 1/20 0.30
LCK P06239 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
SCHEMBL27463844 0.85 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8183610 0.77 MEN1 (0.32) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8086903 0.75 KDM4E (0.37) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8498410 0.74 NQO2 (0.32) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27487605 0.73 SLC13A5 (0.33) KDM4E
SCHEMBL8085969 0.72 NQO2 (0.40) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL23575853 0.72 MTNR1A (0.44) VSIRMTNR1AMTNR1BKDM4EMEN1
SCHEMBL8078878 0.72 GPR35 (0.41) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5973164 0.71 NQO2 (0.41) ALDH1A1
SCHEMBL5201034 0.70 VSIR (0.38) LATS1VSIRMTNR1AMTNR1BALDH1A1

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 5 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-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
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed