SCHEMBL8628280

SCHEMBL8628280

CCCC1Nc2ccncc2S(=O)(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAMPT P43490 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL8623194 0.88 TDP1 (0.44) HTR1ATDP1CA12CA1CA2
SCHEMBL8625238 0.82 TDP1 (0.36) HTR1ATDP1CA12CA1CA2
SCHEMBL8630809 0.77 KDM4E (0.54) CA12CA1CA2CA9CA14
SCHEMBL8625940 0.76 NAMPT (0.36) CA12CA1CA2CA9CA14
SCHEMBL8627681 0.74 NAMPT (0.36) CA12CA1CA2CA9CA14
SCHEMBL8624536 0.68 SPR (0.36) CHRNA7CYP1A2NAMPTKDM4C
SCHEMBL13684679 0.67 TDP1 (0.49) HTR1ATDP1CA12CA1CA2
SCHEMBL8626262 0.66 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL29925887 0.63 TDP1 (0.82) TDP1CA12CA1CA2CA9
SCHEMBL8623852 0.63 CA12 (0.43) CA12CA1CA2CA9CA14

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