SCHEMBL851500

SCHEMBL851500

O=C(NNC(=O)OC1c2ccccc2Oc2ccccc21)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 2/20 0.41
BLM P54132 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL3696138 0.79 MEN1 (0.59) ALDH1A1GAAKMT2AMEN1TP53
SCHEMBL11728672 0.75 HDAC3 (0.47) SMN1; SMN2KMT2AMEN1TP53TSHR
SCHEMBL5731331 0.74 ATM (0.52) SMN1; SMN2KMT2AMEN1TP53TSHR
SCHEMBL11775111 0.71 LMNA (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL11540901 0.71 GAA (0.69) ALDH1A1SMN1; SMN2GAAKDM4EKMT2A
SCHEMBL27773729 0.70 CYP2C9 (0.47) KMT2AMEN1TSHRMAOAMAOB
SCHEMBL5730818 0.70 L3MBTL1 (0.50) KMT2AMEN1TP53MAOAMAOB
SCHEMBL27523205 0.70 MEN1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL7555796 0.70 ATM (0.50) SMN1; SMN2KMT2AMEN1TP53TSHR
SCHEMBL7837312 0.70 ATM (0.50) SMN1; SMN2KMT2AMEN1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533633-B1 FUNGICIDAL MIXTURES LANXESS DISTRIB GMBH (DE) 2017-02-01 EP claimed
EP-2533633-A2 FUNGICIDAL MIXTURES LANXESS Distribution GmbH (DE) 2012-12-19 EP claimed
WO-2011095492-A2 FUNGICIDAL MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2011-08-11 WO claimed
EP-2315522-A2 FORMATE-CONTAINING FUNGICIDE MIXTURES LANXESS Distribution GmbH (DE) 2011-05-04 EP claimed
EP-2153720-A1 Fungicide mixtures comprising formate LANXESS Distribution GmbH (DE) 2010-02-17 EP claimed
WO-2010015635-A2 FUNGICIDE MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2010-02-11 WO claimed
EP-2533633-B1 FUNGICIDAL MIXTURES LANXESS DISTRIB GMBH (DE) 2017-02-01 EP disclosed
EP-2233466-B1 4-Alkoxy-1-amino-1-cyclohexanecarboxylic acid derivatives and their use as intermediates BAYER IP GMBH (DE) 2015-06-10 EP disclosed
EP-2030969-B1 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones BAYER IP GMBH (DE) 2015-03-18 EP disclosed
EP-1830651-B1 INSECTICIDES BASED ON SELECTED NEONICOTINOIDS AND STROBILURINS BAYER CROPSCIENCE AG (DE) 2014-04-30 EP disclosed
EP-2127523-B1 Insecticide on the basis of neonicotinoids and selected strobilurins BAYER CROPSCIENCE AG (DE) 2013-05-22 EP disclosed
EP-1533303-B1 Substituted Aminosalicylacid Amides ( intermediates ) BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
EP-1423003-B1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING TRIFLOXYSTROBIN BAYER CROPSCIENCE AG (DE) 2013-03-27 EP disclosed
WO-1998003495-A1 DIHYDROFURAN CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-29 WO disclosed
WO-1997048280-A1 USE OF PYRROLOPYRIMIDINES TO COMBAT PESTS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-24 WO disclosed
WO-1997047620-A1 N-SULFONYLIMIDAZOLES USED AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed
WO-1997047606-A1 ARYLOXYACRYLIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed
WO-1997047589-A1 AMINOPHTHALIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed
WO-1997026251-A1 ACYLATED 5-AMINO-1,2,4-THIADIAZOLES AS PESTICIDES AND FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed
WO-1997008135-A1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed