SCHEMBL28694262

SCHEMBL28694262

CCc1cc([N+](=O)[O-])c(C(=O)OC(C)C)cc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH3A1 P30838 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
EIF4E P06730 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1679943 0.88 KMT2A (0.40) SLC6A4SLC6A2KMT2AMEN1SMN1; SMN2
SCHEMBL1679873 0.87 MEN1 (0.40) SLC6A4SLC6A2KMT2AMEN1SMN1; SMN2
SCHEMBL28683364 0.83 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL22966186 0.79 HSPB1 (0.47) KMT2ASMN1; SMN2CRHBPCRHR2MITF
SCHEMBL1679941 0.78 USP10 (0.44) SLC6A4SLC6A2KMT2AMEN1SMN1; SMN2
SCHEMBL23086263 0.77 MAPT (0.42) KMT2AMEN1SMN1; SMN2CRHBPCRHR2
SCHEMBL22966233 0.76 TDP1 (0.48) KMT2AMEN1SMN1; SMN2CRHBPCRHR2
SCHEMBL22966278 0.76 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2CRHBPCRHR2
SCHEMBL28694258 0.76 CRHBP (0.44) KMT2AMEN1SMN1; SMN2CRHBPCRHR2
SCHEMBL1679937 0.76 TDP1 (0.50) SLC6A4SLC6A2KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272452-B Quinoline derivatives, preparation method and application thereof 山东中农联合生物科技股份有限公司 2022-01-11 CN disclosed