SCHEMBL6256276

SCHEMBL6256276

CC(=O)c1ccc(N2CCN(C(=O)N3CCN(c4ccc(N5CC(CNC(O)=S)OC5=O)cn4)CC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.47
ITGB3 P05106 10/20 0.45
ITGA2B P08514 10/20 0.45
PRSS1 P07477 4/20 0.45
PRSS2 P07478 4/20 0.45
PRSS3 P35030 4/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
ABCB11 O95342 1/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL6233514 0.89 F10 (0.50) F10ITGB3ITGA2BSMN1; SMN2F2
SCHEMBL6239834 0.86 F10 (0.48) F10ITGB3ITGA2BSMN1; SMN2
SCHEMBL6239827 0.86 F10 (0.48) F10ITGB3ITGA2BSMN1; SMN2
SCHEMBL6237006 0.85 F10 (0.49) F10ITGB3ITGA2BF2
SCHEMBL6233491 0.84 F10 (0.55) F10ITGB3ITGA2BF2
SCHEMBL6237033 0.84 F10 (0.48) F10ITGB3ITGA2BSMN1; SMN2F2
SCHEMBL6237040 0.84 F10 (0.48) F10ITGB3ITGA2BSMN1; SMN2F2
SCHEMBL6233749 0.83 F10 (0.53) F10ITGB3ITGA2BF2
SCHEMBL6257514 0.82 F10 (0.47) F10ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL6239516 0.82 F10 (0.47) 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