Sugi Predict

Sugi Predict / Compounds / SCHEMBL13428755

SCHEMBL13428755

SCHEMBL13428755

CC(=S)NCC1CN(c2ccc(N3C=NN(C=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.69
▸ MAOB P27338 7/20 0.56
▸ PTGS1 P23219 2/20 0.56
▸ SDHA P31040 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CALML3 P27482 1/20 0.56
▸ F10 P00742 7/20 0.47

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
SCHEMBL11969025 1.00 MAOA (0.69) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11968843 0.93 MAOA (0.80) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11968928 0.93 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13428888 0.93 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11969634 0.92 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11969019 0.91 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11968996 0.90 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13428766 0.90 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11968984 0.90 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11971462 0.90 MAOA (0.67) 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-2010036000-A2 NOVEL OXAZOLIDINONE DERIVATIVES WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-04-01 — — WO disclosed