SCHEMBL6826438

SCHEMBL6826438

CC(=S)NCC1CN(c2ccc(NCCc3ccc([N+](=O)[O-])o3)c(F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.49
MAOB P27338 6/20 0.49
PTGS1 P23219 2/20 0.49
SDHA P31040 2/20 0.49
LMNA P02545 1/20 0.49
CALML3 P27482 1/20 0.49
F10 P00742 7/20 0.46

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
SCHEMBL6826435 1.00 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6924164 0.93 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6920350 0.93 F10 (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6826330 0.93 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7068130 0.92 F10 (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6920343 0.90 F10 (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6828284 0.86 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6828281 0.86 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6826524 0.84 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6826538 0.84 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA

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-2004101552-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-11-25 WO claimed