SCHEMBL9815544

SCHEMBL9815544

CS(=O)(=O)c1ccc(N2CC(CNC(=O)O)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.52
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ITGB3 P05106 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
ITGA2B P08514 2/20 0.46
PRSS3 P35030 2/20 0.46
F2 P00734 1/20 0.46
LMNA P02545 1/20 0.46
MAOA P21397 1/20 0.46
PTGS1 P23219 1/20 0.46
MAOB P27338 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 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
SCHEMBL9815498 0.91 MAOA (0.56) F10LMNAMAOAPTGS1MAOB
SCHEMBL9815525 0.87 F10 (0.52) F10
SCHEMBL9550260 0.87 MAOA (0.53) F10LMNAMAOAPTGS1MAOB
SCHEMBL9550293 0.87 MAOA (0.53) F10LMNAMAOAPTGS1MAOB
SCHEMBL9815515 0.86 F10 (0.51) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9815523 0.83 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5764261 0.83 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9823175 0.83 F10 (0.62) F10F2
SCHEMBL9815493 0.82 F10 (0.49) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9815526 0.82 MAOA (0.56) MAOAMAOBCALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127902-B1 AMINOMETHYL OXOOXAZOLIDINYL BENZENE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-16 EP claimed
US-4705799-A Aminomethyl oxooxazolidinyl benzenes useful as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-10 US claimed
EP-0127902-B1 AMINOMETHYL OXOOXAZOLIDINYL BENZENE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-16 EP disclosed
US-4705799-A Aminomethyl oxooxazolidinyl benzenes useful as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-10 US disclosed
EP-0127902-A2 Aminomethyl oxooxazolidinyl benzene derivatives useful as antibacterial agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-12 EP disclosed