SCHEMBL6256776

SCHEMBL6256776

O=C1OC(CNC(O)=S)CN1c1ccc(N2CCN(C(=S)c3ccco3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.49
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
F2 P00734 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM2 Q14416 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
SCHEMBL6232685 0.94 F10 (0.49) F10L3MBTL1ALDH1A1GPR119KDM4E
SCHEMBL6260349 0.92 F10 (0.48) F10L3MBTL1ALDH1A1GPR119KDM4E
SCHEMBL6239753 0.85 F10 (0.45) F10ALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL6233491 0.85 F10 (0.55) F10ITGB3ITGA2BF2
SCHEMBL6233749 0.85 F10 (0.53) F10ITGB3ITGA2BF2
SCHEMBL6257586 0.84 F10 (0.51) F10ITGB3ITGA2BF2
SCHEMBL6236460 0.84 F10 (0.49) F10L3MBTL1ALDH1A1GPR119SMN1; SMN2
SCHEMBL29085031 0.84 F10 (0.49) F10L3MBTL1ALDH1A1GPR119SMN1; SMN2
SCHEMBL6237006 0.84 F10 (0.49) F10ITGB3ITGA2BF2
SCHEMBL6235181 0.84 F10 (0.47) F10ALDH1A1ITGB3ITGA2BKDM4E

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