SCHEMBL4789314

SCHEMBL4789314

O=C(CS)NCC1CN(c2ccc(-c3csc(Cn4cncn4)n3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.46
CALML3 P27482 2/20 0.44
MAOB P27338 4/20 0.41
F10 P00742 6/20 0.41
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
SDHA P31040 1/20 0.40

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
SCHEMBL13054622 0.91 MAOA (0.57) MAOACALML3MAOBF10LMNA
SCHEMBL3755864 0.91 MAOA (0.57) MAOACALML3MAOBF10LMNA
SCHEMBL13054703 0.89 MAOA (0.49) MAOACALML3MAOBF10LMNA
SCHEMBL3747508 0.89 MAOA (0.49) MAOACALML3MAOBF10LMNA
SCHEMBL3758519 0.88 MAOA (0.46) MAOACALML3MAOBF10LMNA
SCHEMBL3753109 0.81 MAOA (0.51) MAOACALML3MAOBF10LMNA
SCHEMBL3749843 0.81 MAOA (0.49) MAOACALML3MAOBF10LMNA
SCHEMBL3758273 0.81 MAOA (0.59) MAOACALML3MAOBF10LMNA
SCHEMBL4816551 0.81 MAOA (0.48) MAOACALML3MAOBF10LMNA
SCHEMBL3750339 0.80 MAOA (0.50) MAOACALML3MAOBF10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed