SCHEMBL6579161

SCHEMBL6579161

CCCCCCCCOc1c(O)c2ccc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
HTR1A P08908 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
CA12 O43570 4/20 0.49
CA9 Q16790 4/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL6579165 1.00 HTT (0.51) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL1710165 0.96 HTT (0.45) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL1710168 0.96 HTT (0.45) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL7997920 0.96 HTT (0.45) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL7997918 0.96 HTT (0.45) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL8000967 0.94 HTT (0.44) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL8000674 0.94 HTT (0.44) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL8000672 0.94 HTT (0.44) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL8000971 0.94 HTT (0.44) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL8001693 0.92 KDM1A (0.51) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed