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Sugi Predict / Compounds / SCHEMBL6232244

SCHEMBL6232244

SCHEMBL6232244

O=C(C1NCCS1)N1CCN(c2ccc(N3CC(CNC(O)=S)OC3=O)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.48
▸ ITGB3 P05106 2/20 0.42
▸ ITGA2B P08514 2/20 0.42
▸ F2 P00734 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL6233491 0.85 F10 (0.55) F10ITGB3ITGA2BF2MAOB
SCHEMBL6238110 0.85 F10 (0.48) F10ITGB3ITGA2BF2
SCHEMBL3397044 0.84 MAOB (0.58) F10MAOAMAOB
SCHEMBL6254709 0.83 F10 (0.51) F10ITGB3ITGA2BF2
SCHEMBL6235320 0.83 F10 (0.51) F10ITGB3ITGA2BF2
SCHEMBL6233514 0.83 F10 (0.50) F10ITGB3ITGA2BF2
SCHEMBL6233749 0.82 F10 (0.53) F10ITGB3ITGA2BF2MAOB
SCHEMBL6237006 0.81 F10 (0.49) F10ITGB3ITGA2BF2
SCHEMBL6239827 0.81 F10 (0.48) F10ITGB3ITGA2B
SCHEMBL6239834 0.81 F10 (0.48) F10ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 — — WO claimed
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 — — WO disclosed