SCHEMBL8626519

SCHEMBL8626519

Nc1nc(Cl)cc(OCC(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
NUDT1 P36639 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AB1 P08238 2/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL2392582 0.87 NUDT1 (0.53) KMT2ANUDT1MEN1SMN1; SMN2CYP2C19
SCHEMBL10618273 0.83 NUDT1 (0.44) KMT2ANUDT1MEN1CYP2C19CYP1A2
SCHEMBL20606959 0.83 MAPT (0.50) KMT2ANUDT1MEN1SMN1; SMN2CYP2C19
SCHEMBL2392109 0.81 HSP90AA1 (0.50) KMT2ANUDT1MEN1CYP2C19CYP1A2
SCHEMBL6335682 0.79 NUDT1 (0.54) KMT2ANUDT1MEN1CYP2C19CYP1A2
SCHEMBL8634483 0.79 NUDT1 (0.73) KMT2ANUDT1MEN1SMN1; SMN2CYP2C19
SCHEMBL30931677 0.77 LOXL2 (0.40) KMT2ANUDT1MEN1CYP2C19CYP1A2
SCHEMBL7808650 0.77 KMT2A (0.50) KMT2AMEN1SMN1; SMN2CYP2C19CYP1A2
SCHEMBL1576783 0.77 SMN1; SMN2 (0.55) KMT2ANUDT1MEN1SMN1; SMN2CYP2C19
SCHEMBL14857458 0.76 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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