SCHEMBL8991399

SCHEMBL8991399

CC(=O)NC[C@H]1CN(c2ccc3nc(S(=O)(=O)Cc4ccccc4)sc3c2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.47
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
F10 P00742 6/20 0.45
ABCB11 O95342 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
SCHEMBL7840655 0.83 MAPT (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8991492 0.82 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8124035 0.81 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8991351 0.79 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8115548 0.79 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8991376 0.78 MAOA (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8991481 0.78 MAOA (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9041676 0.76 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8129288 0.75 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7704288 0.74 ABCB11 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5529998-A ANTIBACTERIAL MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0697412-A1 Benzoxazolyl- and benzo-thiazolyl-oxazolidinones BAYER AG (DE) 1996-02-21 EP disclosed