SCHEMBL9955209

SCHEMBL9955209

NC(=O)c1cnccc1S(=O)(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
NAMPT P43490 4/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MKNK1 Q9BUB5 4/20 0.35
MKNK2 Q9HBH9 4/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
SARM1 Q6SZW1 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
SIRT4 Q9Y6E7 1/20 0.35

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
SCHEMBL9953508 0.77 TDP1 (0.58) SIRT3TDP1KDM4EHTTCA12
SCHEMBL28975269 0.77 SIRT3 (0.53) SIRT3TDP1KDM4EHTTCA12
SCHEMBL366127 0.77 TSHR (0.42) KDM4ECA1CA2CA9GCK
SCHEMBL25302808 0.71 TP53 (0.46) KDM4EHTTCA12CA1CA2
SCHEMBL4599652 0.71 TP53 (0.42) KDM4ECA12CA1CA2CA9
SCHEMBL14705645 0.70 LOXL2 (0.40) NAMPTCOMTPTGS1PTGS2
SCHEMBL25304013 0.70 TP53 (0.48) KDM4EHTTCA12CA1CA2
SCHEMBL1687197 0.69 TDP1 (0.67) SIRT3TDP1KDM4EHTTMKNK1
SCHEMBL1330970 0.69 TDP1 (0.67) SIRT3TDP1KDM4EHTTMKNK1
SCHEMBL16759706 0.69 KIF18A (0.40) KDM4EHTTGCKALDH1A1MAPT

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed