SCHEMBL28310352

SCHEMBL28310352

O=C(Nc1ccc(Cl)cc1)c1ccc2ccccc2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.79
SMN1; SMN2 Q16637 10/20 0.79
NFKB1 P19838 4/20 0.79
NFKB2 Q00653 4/20 0.79
RELA Q04206 4/20 0.79
NPC1 O15118 8/20 0.70
HTT P42858 1/20 0.65
MAPT P10636 6/20 0.64
POLB P06746 3/20 0.64
MAPK1 P28482 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
CNR2 P34972 1/20 0.63
ALDH1A1 P00352 5/20 0.62
TP53 P04637 4/20 0.62
KDM4E B2RXH2 2/20 0.62
TSHR P16473 1/20 0.62
HDAC8 Q9BY41 1/20 0.61
HPGD P15428 2/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60

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
SCHEMBL1131467 0.89 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31306421 0.87 CNR2 (0.62) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31295503 0.87 RAB9A (0.60) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL7570608 0.86 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6037569 0.86 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6037573 0.86 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL12258528 0.85 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL21446750 0.84 RAB9A (0.73) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL14077911 0.83 RAB9A (0.55) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL8071379 0.83 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156683-B Synthesis method of quinoline oxide 青岛农业大学 2020-06-26 CN disclosed
CN-110156683-A The synthetic method of quinoline type oxide 青岛农业大学 2019-08-23 CN disclosed