Sugi Predict

Sugi Predict / Compounds / SCHEMBL6999280

SCHEMBL6999280

SCHEMBL6999280

CS(=O)(=O)OC[C@H]1CN(c2ccc(-c3ncc[nH]3)c(F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 4/20 0.49
▸ MAOA P21397 12/20 0.44
▸ MAOB P27338 2/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL8822111 0.89 CALML3 (0.46) CALML3MAOAMAOB
SCHEMBL6996844 0.85 CALML3 (0.46) CALML3MAOAMAOBCYP3A4CYP2C19
SCHEMBL7836393 0.85 CALML3 (0.48) CALML3MAOAMAOBCYP3A4CYP2C19
SCHEMBL8822042 0.85 CALML3 (0.47) CALML3MAOAMAOBCYP3A4CYP2C19
SCHEMBL7840408 0.83 CALML3 (0.70) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL1222291 0.81 MAOB (0.50) CALML3MAOAMAOB
SCHEMBL1222294 0.81 MAOB (0.50) CALML3MAOAMAOB
SCHEMBL8822103 0.80 MAOA (0.66) CALML3MAOAMAOB
SCHEMBL18770241 0.79 MAOB (0.48) CALML3MAOAMAOB
SCHEMBL1032546 0.79 MAOB (0.48) CALML3MAOAMAOB

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
EP-1286998-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 2003-03-05 — — EP disclosed
WO-2001081350-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2001-11-01 — — WO disclosed