SCHEMBL9953226

SCHEMBL9953226

Cn1cc(NS(=O)(=O)c2cccnc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
EGFR P00533 3/20 0.54
FGFR1 P11362 3/20 0.54
KDR P35968 3/20 0.54
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
GLO1 Q04760 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
BRD4 O60885 2/20 0.46
SNCA P37840 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
PRF1 P14222 1/20 0.44

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
SCHEMBL4289381 0.85 EGFR (0.70) KEAP1NFE2L2EGFRFGFR1KDR
SCHEMBL16854979 0.78 EGFR (0.54) EGFRFGFR1KDRKMT2AGAA
SCHEMBL2565637 0.77 KEAP1 (0.64) KEAP1NFE2L2KMT2AGAAPOLB
SCHEMBL784141 0.77 KEAP1 (0.66) KEAP1NFE2L2KMT2AGAAPOLB
SCHEMBL1850850 0.77 EGFR (0.53) EGFRFGFR1KDRKMT2AGAA
SCHEMBL5015931 0.76 KEAP1 (0.68) KEAP1NFE2L2KMT2AGAAPOLB
SCHEMBL9952564 0.75 OXTR (0.61) KEAP1NFE2L2KMT2AGAAGLO1
SCHEMBL5609957 0.73 KEAP1 (0.59) KEAP1NFE2L2KMT2AGAAPOLB
SCHEMBL30676966 0.73 KEAP1 (0.65) KEAP1NFE2L2KMT2AALDH1A1HTT
SCHEMBL29118864 0.73 KEAP1 (0.65) KEAP1NFE2L2KMT2AALDH1A1HTT

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