SCHEMBL9159295

SCHEMBL9159295

Cc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
HSD17B10 Q99714 1/20 0.41
NPBWR1 P48145 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
S1PR4 O95977 1/20 0.38
GAA P10253 1/20 0.38
PABPC1 P11940 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9166566 0.88 MAPT (0.43) MAPTNPBWR1KMT2AMEN1NPSR1
SCHEMBL9159768 0.88 MAPT (0.43) MAPTHSD17B10NPBWR1KMT2AMEN1
SCHEMBL27295882 0.84 MAPT (0.41) MAPTKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL9159424 0.83 MEN1 (0.42) MAPTHSD17B10NPBWR1KMT2AMEN1
SCHEMBL9136565 0.81 HSD17B10 (0.37) MAPTHSD17B10NPBWR1KMT2AMEN1
SCHEMBL26199343 0.78 MAPT (0.49) MAPTKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL9158219 0.77 LCK (0.43) MAPTKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL9159576 0.76 MAPT (0.40) MAPTHSD17B10NPBWR1KMT2AMEN1
SCHEMBL1024702 0.75 MAPT (0.47) MAPTKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL1025814 0.75 MAPT (0.48) MAPTHSD17B10KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354994-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-25 EP disclosed
US-5254565-A Enzyme inhibitors; anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US disclosed
EP-0354994-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-02-21 EP disclosed