SCHEMBL11730587

SCHEMBL11730587

CN(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)OCC(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ ACSS2 Q9NR19 6/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE2A O00408 2/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ TMPRSS15 P98073 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ F2R P25116 1/20 0.32

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
SCHEMBL11151131 0.88 PDE2A (0.45) PI4KBMAPK14SMN1; SMN2PDE2ARAB9A
SCHEMBL11736204 0.87 PI4KB (0.42) PI4KBMAPK14ACSS2SMN1; SMN2
SCHEMBL11255360 0.85 PI4KB (0.44) PI4KBMAPK14SMN1; SMN2PDE2ARAB9A
SCHEMBL11621025 0.85 PDE2A (0.48) PI4KBMAPK14SMN1; SMN2PDE2ARAB9A
SCHEMBL11728750 0.81 MEN1 (0.47) PI4KBMAPK14SMN1; SMN2RAB9A
SCHEMBL11257304 0.81 PDE2A (0.44) PI4KBSMN1; SMN2PDE2ARAB9ASIRT2
SCHEMBL11246875 0.81 PI4KB (0.46) PI4KBMAPK14ACSS2SMN1; SMN2RAB9A
SCHEMBL11262610 0.81 PI4KB (0.48) PI4KBMAPK14ACSS2SMN1; SMN2RAB9A
SCHEMBL11625701 0.80 MAPK14 (0.44) PI4KBMAPK14ACSS2SMN1; SMN2
SCHEMBL11147527 0.80 PI4KB (0.43) PI4KBMAPK14ACSS2SMN1; SMN2RAB9A

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-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 — — US claimed
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