SCHEMBL6292017

SCHEMBL6292017

NS(=O)(=O)c1cccnc1-c1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.46
CA1 P00915 12/20 0.46
CA9 Q16790 12/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 11/20 0.41
CA14 Q9ULX7 7/20 0.41
FTO Q9C0B1 1/20 0.40
LMNA P02545 2/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8514484 0.81 CA2 (0.50) CA2CA1CA9MAPK1CA12
SCHEMBL30114413 0.79 ALOX5AP (0.49) CA2CA1CA9MAPK1CA12
SCHEMBL4669011 0.79 ALOX5AP (0.49) CA2CA1CA9MAPK1CA12
Hydrochloric Acid SCHEMBL29970039 0.77 CA2 (0.53) CA2CA1CA9MAPK1CA12
SCHEMBL2565634 0.75 CA2 (0.50) CA2CA1CA9MAPK1CA12
SCHEMBL8891958 0.74 PIEZO1 (0.40) LMNACYP2A6KDM4ENPC1
SCHEMBL784140 0.73 CA1 (0.51) CA2CA1CA9MAPK1CA12
SCHEMBL28587100 0.71 SIRT3 (0.47) CYP2A6KDM4ENPC1HPGDALDH1A1
SCHEMBL29604515 0.70 PIEZO1 (0.40) CYP2A6NPC1HPGD
SCHEMBL30567475 0.70 TRIM24 (0.46) LMNACYP2A6KDM4ENPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943254-B2 Synthesis of pyrazinyl pyridine-3-sulfonamide compounds ASTRAZENECA UK LIMITED (GB) 2005-09-13 US disclosed