SCHEMBL8629039

SCHEMBL8629039

O=C(O)Nc1ccccc1-c1nc(OC(F)F)cc(OC(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.39
TSHR P16473 3/20 0.39
KMT2A Q03164 5/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TEAD4 Q15561 1/20 0.36
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8629943 0.92 MAPT (0.50) HTTMAPTTSHRKMT2ANPSR1
SCHEMBL5193130 0.82 MAPT (0.48) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8626823 0.81 MAPT (0.64) HTTSMN1; SMN2MAPTTSHRKMT2A
SCHEMBL8628976 0.78 ALDH1A1 (0.47) HTTSMN1; SMN2MAPTTSHRKMT2A
SCHEMBL8540029 0.76 MAPT (0.48) HTTSMN1; SMN2MAPTTSHRKMT2A
SCHEMBL8628783 0.75 RAB9A (0.49) HTTSMN1; SMN2MAPTTSHRKMT2A
SCHEMBL8627862 0.75 ALDH1A1 (0.46) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8628972 0.74 ALDH1A1 (0.44) HTTMAPTTSHRKMT2ANPSR1
SCHEMBL8630090 0.73 NTRK1 (0.46) HTTSMN1; SMN2MAPTTSHRKMT2A
SCHEMBL8873905 0.73 MAPT (0.41) HTTSMN1; SMN2MAPTTSHRKMT2A

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