Sugi Predict

Sugi Predict / Compounds / SCHEMBL6239516

SCHEMBL6239516

SCHEMBL6239516

O=C(c1cnccn1)N1CCN(c2ccc(N3CC(CNC(O)=S)OC3=O)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.47
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ GBA1 P04062 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
SCHEMBL6260687 0.93 F10 (0.46) F10ITGB3ITGA2B
SCHEMBL6235173 0.93 F10 (0.46) F10ITGB3ITGA2BNAMPTCYP3A4
SCHEMBL6258702 0.91 F10 (0.47) F10ITGB3ITGA2BNAMPTCYP3A4
SCHEMBL6260420 0.88 F10 (0.47) F10ITGB3ITGA2B
SCHEMBL6254766 0.87 F10 (0.47) F10
SCHEMBL6240315 0.86 F10 (0.46) F10ITGB3ITGA2B
SCHEMBL6238033 0.85 F10 (0.45) F10ITGB3ITGA2BNAMPT
SCHEMBL6233491 0.84 F10 (0.55) F10ITGB3ITGA2B
SCHEMBL6240630 0.84 F10 (0.46) F10ITGB3ITGA2B
SCHEMBL6824725 0.84 F10 (0.46) 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