SCHEMBL4257301

SCHEMBL4257301

CC(=O)OC(c1ccc2nc3n(c2c1)CCS3)C1(Br)C(=O)N2C(C(=O)O)=CSC21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3592569 0.96 MAPT (0.33) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3601526 0.82 NPC1 (0.30) SMN1; SMN2
SCHEMBL5923637 0.80 NPC1 (0.30) KMT2A
SCHEMBL3601529 0.78 NPC1 (0.30) SMN1; SMN2
SCHEMBL4265629 0.77
SCHEMBL7177847 0.76
SCHEMBL4964252 0.72
SCHEMBL6810396 0.70 MEN1 (0.35) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4665366 0.70
SCHEMBL6413204 0.69

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
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed