SCHEMBL9164973

SCHEMBL9164973

O=[N+]([O-])c1cnc2ccccc2c1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
GUSB P08236 1/20 0.40
F2 P00734 1/20 0.40
C1R P00736 1/20 0.40
HTT P42858 5/20 0.40
PIN1 Q13526 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
AGTR1 P30556 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 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
SCHEMBL9163849 0.84 MAPT (0.39) MAPTMEN1KMT2AALDH1A1PIN1
SCHEMBL9166566 0.84 MAPT (0.43) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL9159576 0.83 MAPT (0.40) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL9163209 0.81 MAPT (0.37) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL27296771 0.81 TP53 (0.39) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL9158252 0.80 MAPT (0.40) POLBMAPTALDH1A1KDM4EHTT
SCHEMBL9143575 0.80 MAPT (0.38) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL9163609 0.79 HSD11B1 (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL202663 0.79 POLB (0.51) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL29381779 0.79 POLB (0.51) POLBMAPTMEN1KMT2AALDH1A1

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