SCHEMBL11736204

SCHEMBL11736204

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.42
▸ MAPK14 Q16539 4/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MET P08581 1/20 0.36
▸ ACSS2 Q9NR19 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ STAT3 P40763 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NOD1 Q9Y239 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ SRD5A1 P18405 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
SCHEMBL11730587 0.87 PI4KB (0.39) PI4KBMAPK14SMN1; SMN2ACSS2
SCHEMBL11622008 0.85 PI4KB (0.59) PI4KBMAPK14CYP3A4
SCHEMBL11728750 0.85 MEN1 (0.47) PI4KBMAPK14CA12CA1CA2
SCHEMBL11151131 0.85 PDE2A (0.45) PI4KBMAPK14CA12CA1CA2
SCHEMBL11262610 0.84 PI4KB (0.48) PI4KBMAPK14SMN1; SMN2ACSS2NOD1
SCHEMBL11246875 0.84 PI4KB (0.46) PI4KBMAPK14SMN1; SMN2ACSS2BRD4
SCHEMBL11621025 0.82 PDE2A (0.48) PI4KBMAPK14CA12CA1CA2
SCHEMBL11255360 0.82 PI4KB (0.44) PI4KBMAPK14CA2SMN1; SMN2CYP3A4
SCHEMBL11734410 0.81 MAPK14 (0.41) PI4KBMAPK14SMN1; SMN2CYP3A4
SCHEMBL11625701 0.81 MAPK14 (0.44) PI4KBMAPK14CA1CA2CA9

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
Send feedback