SCHEMBL16667192

SCHEMBL16667192

Cc1c(-c2ccc(S(=O)(=O)NCP(=O)(O)O)s2)ccc(OCCCN)c1OCCCN

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.38
MCL1 Q07820 1/20 0.32
MAPT P10636 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
SCHEMBL3480383 0.91 MAP3K5 (0.32) MAP3K5MCL1MAPT
SCHEMBL16684162 0.87 MAP3K5 (0.40) MAP3K5MCL1MAPT
SCHEMBL16667390 0.84 MAP3K5 (0.41) MAP3K5MCL1MAPT
SCHEMBL3919835 0.81 MCL1 (0.36) MAP3K5MCL1MAPT
SCHEMBL16667405 0.80 P2RY14 (0.38) MAP3K5MAPT
SCHEMBL3480413 0.75 MAP3K5 (0.35) MAP3K5MCL1MAPT
SCHEMBL13032461 0.75 ADRA1A (0.34) MAPT
SCHEMBL3483815 0.75 MCL1 (0.32) MAP3K5MCL1MAPT
Trifluoroacetic Acid SCHEMBL3480361 0.73 S1PR1 (0.31)
SCHEMBL13021136 0.73 EGLN1 (0.32)

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-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP claimed