SCHEMBL6239282

SCHEMBL6239282

CC(=S)NCC1CN(c2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.54
MAOB P27338 4/20 0.45
F2 P00734 3/20 0.44
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
MAOA P21397 4/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42

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
SCHEMBL6237032 0.93 F10 (0.52) F10MAOBF2ITGB3ITGA2B
SCHEMBL6239389 0.93 F10 (0.56) F10MAOBF2ITGB3ITGA2B
SCHEMBL6237098 0.93 F10 (0.56) F10MAOBF2ITGB3ITGA2B
SCHEMBL6233491 0.92 F10 (0.55) F10MAOBF2ITGB3ITGA2B
SCHEMBL6235612 0.91 F10 (0.53) F10MAOBF2ITGB3ITGA2B
SCHEMBL6235614 0.91 F10 (0.53) F10MAOBF2ITGB3ITGA2B
SCHEMBL6236038 0.88 F10 (0.53) F10MAOBF2ITGB3ITGA2B
SCHEMBL6236028 0.88 F10 (0.53) F10MAOBF2ITGB3ITGA2B
SCHEMBL6260349 0.85 F10 (0.48) F10MAOBMAOALMNAPTGS1
SCHEMBL6237156 0.85 KDM4E (0.47) F10MAOBMAOALMNAPTGS1

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