SCHEMBL1019446

SCHEMBL1019446

Cc1nc(C(F)F)c(OC(=O)Nc2ccccc2-c2ccc(Br)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A3 Q01959 1/20 0.37
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CHRM3 P20309 6/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
NTRK1 P04629 1/20 0.34
TP53 P04637 1/20 0.34
XIAP P98170 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33

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
SCHEMBL1018834 0.88 CHRM3 (0.44) MAPTHTTPTGDR2CHRM3NTRK1
SCHEMBL4733778 0.87 ALDH1A1 (0.38) PTGDR2L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL4733467 0.86 CA2 (0.44) POLBMAPTMEN1KMT2A
SCHEMBL4733183 0.85 SMN1; SMN2 (0.36) POLBLMNANPSR1MAPTHTT
SCHEMBL1024112 0.85 CHRM3 (0.40) NPSR1MAPTCHRM3MEN1KMT2A
SCHEMBL29437136 0.83 MAPT (0.41) POLBLMNANPSR1MAPTHTT
SCHEMBL167980 0.83 MAPT (0.41) POLBLMNANPSR1MAPTHTT
SCHEMBL4733534 0.82 AKR1C3 (0.35) POLBLMNAMAPTHTTUSP2
SCHEMBL4732011 0.82 ALDH1A1 (0.37) POLBLMNANPSR1MAPTHSD17B10
SCHEMBL4731393 0.81 CA2 (0.39) POLBHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909579-B1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2015-10-07 EP claimed
WO-2008046856-A2 FUNGICIDAL COMPOSITIONS BASF SE (DE) 2008-04-24 WO claimed
EP-1912503-A2 FUNGICIDAL MIXTURES CONTAINING SUBSTITUTED 1-METHYL PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF SE (DE) 2008-04-23 EP claimed
EP-1909579-A1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2008-04-16 EP claimed
EP-1903869-A2 FUNGICIDE MIXTURES BASED ON 1-METHYL-PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF SE (DE) 2008-04-02 EP claimed
EP-1901609-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF SE (DE) 2008-03-26 EP claimed
EP-1819223-B1 USE OF MENADIONE FOR BOOSTING THE EFFECTIVENESS OF AGROCHEMICALS BASF SE (DE) 2008-03-12 EP claimed
EP-1819223-A1 USE OF MENADIONE FOR BOODTING THE EFFECTIVENESS OF AGROCHEMICALS BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP claimed
EP-1813152-A1 Fungicidal mixture based on 3,4-disubstituted biphenylanilides BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
EP-1813151-A1 Fungicidal compositions based on 1-methyl-pyrazol-4-yl-anilides BASF Aktiengesellschaft (DE) 2007-08-01 EP claimed
WO-2007017416-A2 FUNGICIDAL MIXTURES CONTAINING SUBSTITUTED 1-METHYL PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF SE (DE) 2007-02-15 WO claimed
WO-2007012598-A1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF AKTIENGESELLSCHAFT (DE) 2007-02-01 WO claimed
WO-2007006806-A2 FUNGICIDE MIXTURES BASED ON 1-METHYL-PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO claimed
WO-2007003643-A1 FUNGICIDAL MIXTURES BASED ON 3,4-DISUBSTITUTED PYRAZOLECARBOXYLIC ACID BIPHENYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO claimed
WO-2007003603-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO claimed
WO-2006056434-A1 USE OF MENADIONE FOR BOOSTING THE EFFECTIVENESS OF AGROCHEMICALS BASF AKTIENGESELLSCHAFT (DE) 2006-06-01 WO claimed
EP-2094080-B1 UTILISATION OF BLOCK COPOLYMERS BASED ON VINYL LACTAMES AND VINYL ACETATE AS SOLUBILISERS BASF SE (DE) 2017-06-07 EP disclosed
EP-1909579-B1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2015-10-07 EP disclosed
WO-2006056434-A1 USE OF MENADIONE FOR BOOSTING THE EFFECTIVENESS OF AGROCHEMICALS BASF AKTIENGESELLSCHAFT (DE) 2006-06-01 WO disclosed
WO-2006027170-A1 6-PHENYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 WO disclosed