SCHEMBL9163209

SCHEMBL9163209

CC(C)c1ccc2ncc([N+](=O)[O-])c(-c3ccccc3Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
NPBWR1 P48145 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIN1 Q13526 3/20 0.34
CRHR1 P34998 1/20 0.34

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 0.85 MAPT (0.43) MAPTNPBWR1MEN1KMT2AALDH1A1
SCHEMBL9161086 0.83 MEN1 (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9163849 0.82 MAPT (0.39) MAPTNPBWR1MEN1KMT2AALDH1A1
SCHEMBL27296771 0.82 TP53 (0.39) MAPTNPBWR1MEN1KMT2AALDH1A1
SCHEMBL9164973 0.81 POLB (0.44) MAPTNPBWR1MEN1KMT2AALDH1A1
SCHEMBL9159576 0.81 MAPT (0.40) MAPTNR1H4NPBWR1MEN1KMT2A
SCHEMBL8834931 0.80 SMN1; SMN2 (0.36) MAPTSMN1; SMN2NPC1RAB9ACRHR1
SCHEMBL9164771 0.78 PTGES (0.41) MAPTMEN1KMT2APIN1HSD11B1
SCHEMBL9143575 0.76 MAPT (0.38) MAPTNPBWR1MEN1KMT2AALDH1A1
SCHEMBL9159768 0.75 MAPT (0.43) MAPTNPBWR1MEN1KMT2AALDH1A1

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-1028754-C process for preparing quinoline derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-07 CN disclosed
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
CN-1039416-A Quinoline and preparation thereof and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-02-07 CN disclosed