SCHEMBL8629616

SCHEMBL8629616

Cn1ncc(C2=NOCCO2)c1S(=O)(=O)c1ccccc1NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
LPAR1 Q92633 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8630714 0.82 CA1 (0.34) NPC1RAB9ACA12CA1CA2
SCHEMBL8633092 0.81 CA1 (0.33) NPC1RAB9AGAACA12CA1
SCHEMBL8653023 0.81 CA2 (0.32) GAACA12CA1CA2CA9
SCHEMBL8633546 0.77 SLC40A1 (0.33) NPC1RAB9AGAACA12CA1
SCHEMBL8633120 0.74 TAAR1 (0.34) CA1CA2
SCHEMBL8632281 0.72 GAA (0.33) GAA
SCHEMBL8629590 0.63 MAPT (0.41) NPC1RAB9AGAACYP2C19
SCHEMBL7909202 0.63 MAPT (0.40) GAA
SCHEMBL10991718 0.62 HTR6 (0.62) NPC1RAB9AGAACA12CA1
SCHEMBL29469898 0.62 CA1 (0.38) CA12CA1CA2CA9CYP2C9

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 4 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
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