SCHEMBL8627007

SCHEMBL8627007

CCCN1CN(C)c2ccncc2S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CA12 O43570 4/20 0.34
CA9 Q16790 4/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA14 Q9ULX7 2/20 0.34
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL8629803 0.80 CYP3A4 (0.39) KEAP1NFE2L2CA12CA9CA1
SCHEMBL8561528 0.70 GRIA2 (0.50) CA12CA9CA1CA2CA14
SCHEMBL8623980 0.69 GRIA2 (0.47) CA12CA9CA1CA2CA14
SCHEMBL18186896 0.68 PIK3CD (0.39) CA12CA9CA1CA2CA14
SCHEMBL12601151 0.67 CACNA1H (0.34) KEAP1NFE2L2CYP3A4
SCHEMBL8627275 0.67 CYP3A4 (0.36) CA12CA9CA1CA2CA14
SCHEMBL8625943 0.66 GAA (0.35) CA12CA9TDP1GAA
SCHEMBL8626262 0.66 CA12 (0.43) CA12CA9CA1CA2CA14
SCHEMBL16724490 0.65 GAA (0.48) CYP3A4ADORA3ADORA2AKDM4EALDH1A1
SCHEMBL8624828 0.64 GRIA2 (0.45) CA12CA9CA1CA2CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618209-B1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-12-23 EP disclosed
US-5459138-A Dysfunctions of glutamatergic neurotransmission associated with learning and memory ADIR ET COMPAGNIE (FR) 1995-10-17 US disclosed
EP-0618209-A1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-10-05 EP disclosed