SCHEMBL8626593

SCHEMBL8626593

COc1cc(N(C)C)nc(-c2ccccc2NC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
S1PR1 P21453 1/20 0.39
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
SLC2A1 P11166 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ABCB1 P08183 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GPR35 Q9HC97 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8630938 0.88 S1PR1 (0.45) MAPTKMT2AS1PR1OPRD1ALDH1A1
SCHEMBL5193130 0.88 MAPT (0.48) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL8634470 0.87 ALDH1A1 (0.42) MAPTKMT2AS1PR1OPRD1ALDH1A1
SCHEMBL8627539 0.85 SLC2A1 (0.49) MAPTKMT2AS1PR1OPRD1ALDH1A1
SCHEMBL8540029 0.85 MAPT (0.48) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL8873905 0.84 MAPT (0.41) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL8627862 0.84 ALDH1A1 (0.46) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL8632963 0.82 KMT2A (0.42) MAPTKMT2AS1PR1OPRD1ALDH1A1
SCHEMBL8628972 0.81 ALDH1A1 (0.44) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL8632270 0.78 L3MBTL1 (0.48) KMT2AALDH1A1L3MBTL1ABCG2SMN1; SMN2

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 6 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-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US 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