SCHEMBL8628972

SCHEMBL8628972

CCOc1cc(OC)nc(-c2ccccc2NC(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41

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
SCHEMBL8628976 0.95 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1CYP1A2CYP3A4
SCHEMBL5193130 0.91 MAPT (0.48) ALDH1A1KDM4ECYP1A2MAPTKMT2A
SCHEMBL8626602 0.88 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1CYP1A2CYP3A4
SCHEMBL8873905 0.86 MAPT (0.41) ALDH1A1KDM4EHPGDNPSR1TSHR
SCHEMBL8634470 0.85 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1CYP1A2CYP3A4
SCHEMBL8540029 0.85 MAPT (0.48) ALDH1A1KDM4ETDP1NPC1NPSR1
SCHEMBL8627862 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1MAPTKMT2A
SCHEMBL8631751 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1CYP1A2CYP3A4
SCHEMBL8626593 0.81 MAPT (0.39) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL8651447 0.76 GPR35 (0.42) ALDH1A1KDM4ENPC1TSHRMAPT

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
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 EP disclosed