SCHEMBL23847768

SCHEMBL23847768

O=CNCC1CN(c2cc(F)c(N3CC[S+]([O-])CC3)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.43
MAOB P27338 9/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
F10 P00742 6/20 0.37

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
SCHEMBL18410530 0.84 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL24169210 0.84 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18408852 0.84 MAOB (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL24169485 0.84 MAOB (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL24296584 0.84 CALML3 (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4015562 0.84 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18408850 0.82 MAOB (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18410646 0.82 MAOB (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18410536 0.82 MAOA (0.48) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18410647 0.82 MAOB (0.60) MAOAMAOBLMNAPTGS1CALML3

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-2021188606-A1 OXAZOLIDINONE COMPOUND AND METHODS OF USE THEREOF AS AN ANTIBACTERIAL AGENT MERCK SHARP & DOHME CORP. (US) 2021-09-23 WO disclosed