SCHEMBL21609155

SCHEMBL21609155

CS(=O)(=O)Nc1noc2c(C3CC3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.46
SSTR4 P31391 1/20 0.43
KAT7 O95251 2/20 0.38
KAT6B Q8WYB5 2/20 0.38
KAT6A Q92794 2/20 0.38
PDK2 Q15119 5/20 0.36
PDK4 Q16654 3/20 0.36
ADRA1A P35348 2/20 0.36
PDK1 Q15118 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
ADRA2A P08913 1/20 0.35
KEAP1 Q14145 1/20 0.35
KAT5 Q92993 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34

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
SCHEMBL16006437 0.79 SMN1; SMN2 (0.46) SCN9ASSTR4KEAP1KAT8
SCHEMBL16006559 0.77 KEAP1 (0.38) SCN9AKAT7KAT6BKAT6AKEAP1
SCHEMBL16158008 0.76 SCN9A (0.40) SCN9AKAT7KAT6BKAT6AKEAP1
SCHEMBL24249760 0.75 EPHX2 (0.42) SCN9ASSTR4KAT6AKEAP1
SCHEMBL25639241 0.75 L3MBTL1 (0.46) SCN9AKEAP1
SCHEMBL31605639 0.74 KAT6A (0.53) KAT7KAT6BKAT6AKAT5KAT8
SCHEMBL21596868 0.74 KAT6A (0.53) KAT7KAT6BKAT6AKAT5KAT8
SCHEMBL29268181 0.70 KMT2A (0.56) SCN9AKAT6AKAT8
SCHEMBL30881801 0.70 SSTR4 (0.42) SSTR4PDK2PDK4PDK1CHRNA7
SCHEMBL16006540 0.70 CA12 (0.35) SCN9AKAT7KAT6BKAT6AKEAP1

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-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed