SCHEMBL9954565

SCHEMBL9954565

CON(C)S(=O)(=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
NFE2L2 Q16236 4/20 0.46
KEAP1 Q14145 3/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
LMNA P02545 1/20 0.39
FLT3 P36888 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL670866 0.82 NAPRT (0.57) NAPRTNFE2L2KEAP1ALDH1A1KMT2A
SCHEMBL30498935 0.82 NAPRT (0.57) NAPRTNFE2L2KEAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28556626 0.80 NAPRT (0.55) NAPRTNFE2L2KEAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL19211717 0.80 NAPRT (0.55) NAPRTNFE2L2KEAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL29136849 0.80 NAPRT (0.55) NAPRTNFE2L2KEAP1ALDH1A1KMT2A
SCHEMBL9954268 0.78 KEAP1 (0.48) NAPRTNFE2L2KEAP1CYP11B1CYP11B2
SCHEMBL3566251 0.77 APOBEC3G (0.50) ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL29268395 0.77 NAPRT (0.52) NAPRTNFE2L2KEAP1CYP11B1CYP11B2
SCHEMBL12077955 0.76 NAPRT (0.50) NAPRTNFE2L2KEAP1ALDH1A1MAPT
SCHEMBL27973675 0.75 NAPRT (0.53) NAPRTNFE2L2KEAP1ALDH1A1GAA

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