SCHEMBL7001999

SCHEMBL7001999

CCCn1c(=O)n(CCCC(=O)OCC)c(=O)c2sc(N)nc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 14/20 0.61
▸ GAA P10253 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
SCHEMBL6013380 0.90 TNF (0.60) TNFDPP4KDM4E
SCHEMBL7005492 0.86 PDE4A (0.46) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7001995 0.74 DPP4 (0.41) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL7004334 0.74 DPP4 (0.55) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL11210331 0.73 TNF (0.58) TNFGAAALDH1A1
SCHEMBL6384593 0.73 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL4251174 0.69 TNF (0.56) TNF
SCHEMBL835698 0.69 TNF (0.58) TNFADORA2AADORA2B
SCHEMBL13144469 0.68 TNF (0.47) TNFGAAALDH1A1HPGDHSD17B10
SCHEMBL8437638 0.68 PNP (0.44) TNFGAAKDM4EALDH1A1HPGD

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
EP-1187838-B1 Thiazolopyrimidines useful as TNF-Alpha inhibitors UNIV CALIFORNIA (US) 2003-08-06 — — EP claimed
Send feedback