SCHEMBL11255360

SCHEMBL11255360

CC(C)COC(=O)c1ccc2nc(N)n(S(=O)(=O)N(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.44
▸ MAPK14 Q16539 4/20 0.39
▸ JMJD6 Q6NYC1 1/20 0.38
▸ ACHE P22303 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL11151131 0.88 PDE2A (0.45) PI4KBMAPK14CA2SMN1; SMN2PDE2A
SCHEMBL11728750 0.86 MEN1 (0.47) PI4KBMAPK14JMJD6CA2SMN1; SMN2
SCHEMBL11730587 0.85 PI4KB (0.39) PI4KBMAPK14SMN1; SMN2PDE2ARAB9A
SCHEMBL11621025 0.85 PDE2A (0.48) PI4KBMAPK14CA2SMN1; SMN2PDE2A
SCHEMBL11248780 0.84 NOD1 (0.38) PI4KBJMJD6ACHESMN1; SMN2NPC1
SCHEMBL11736204 0.82 PI4KB (0.42) PI4KBMAPK14CA2SMN1; SMN2CYP3A4
SCHEMBL11257304 0.81 PDE2A (0.44) PI4KBCA2SMN1; SMN2PDE2ANPC1
SCHEMBL11246875 0.81 PI4KB (0.46) PI4KBMAPK14SMN1; SMN2NPC1RAB9A
SCHEMBL11262610 0.81 PI4KB (0.48) PI4KBMAPK14SMN1; SMN2NPC1RAB9A
SCHEMBL11625701 0.80 MAPK14 (0.44) PI4KBMAPK14CA2SMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 — — US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 — — US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 — — US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 — — US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 — — US disclosed
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