SCHEMBL317958

SCHEMBL317958

O=C(O)Oc1cccc2nc3ccccc3nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.58
ALDH1A1 P00352 4/20 0.56
MAPT P10636 7/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 2/20 0.44
BLM P54132 2/20 0.44
MEN1 O00255 2/20 0.44
CASP6 P55212 1/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6213177 0.87 NQO2 (0.59) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL7760052 0.86 RAB9A (0.57) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL11264113 0.84 NQO2 (0.40) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL28567770 0.84 NQO2 (0.61) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL28375189 0.83 NQO2 (0.54) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL18113724 0.82 ALDH1A1 (0.49) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL28092677 0.81 NQO2 (0.53) NQO2ALDH1A1MAPTRAB9AKMT2A
Acetic Acid SCHEMBL28270696 0.79 NQO2 (0.80) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL8940303 0.79 NQO2 (0.54) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL28384802 0.78 NQO2 (0.53) NQO2ALDH1A1MAPTRAB9AKMT2A

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 433 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3488700-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2020-12-16 EP claimed
EP-2854545-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2020-10-21 EP claimed
WO-2019197615-A1 ACTIVE INGREDIENT COMBINATIONS WITH FUNGICIDES, INSECTICIDES AND ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 WO claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
EP-2854532-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2019-08-07 EP claimed
EP-2854552-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF AMINO ACID OR PROTEIN BIOSYNTHESIS, INHIBITORS OF ATP PRODUCTION AND INHIBITORS OF THE CELL WALL SYNTHESIS BAYER CROPSCIENCE AG (DE) 2019-05-08 EP claimed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP claimed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP claimed
EP-2879493-B1 PESTICIDAL COMPOSITIONS COMPRISING A TERPENE MIXTURE AND FLUPYRADIFURONE BAYER CROPSCIENCE AG (DE) 2018-09-19 EP claimed
EP-2854542-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2018-08-01 EP claimed
EP-2606726-A1 N-Arylamidine-substituted trifluoroethylsulfide derivatives as acaricides and insecticides Bayer CropScience AG (DE) 2013-06-26 EP claimed
EP-2590511-A2 ANTHRANILAMIDES IN COMBINATION WITH FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-05-15 EP claimed
EP-2494867-A1 Halogen-substituted compounds in combination with fungicides Bayer CropScience AG (DE) 2012-09-05 EP claimed
EP-2467021-A1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2012-06-27 EP claimed
EP-2467367-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2012-06-27 EP claimed
WO-2012045680-A2 INSECTICIDAL AND FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-04-12 WO claimed
WO-2012004221-A2 ANTHRANILAMIDES IN COMBINATION WITH FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO claimed
WO-2012004293-A2 INSECTICIDE AND FUNGICIDE ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-01-12 WO claimed
WO-2011029506-A1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-03-17 WO claimed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 WO claimed