SCHEMBL4213331

SCHEMBL4213331

N#Cc1ccc(P(=O)([O-])CNS(=O)(=O)c2cc3cc(OCC[n+]4ccccc4)ccc3s2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 16/20 0.35
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
STAT3 P40763 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31

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
SCHEMBL3485055 0.89 TRPV4 (0.34) TRPV4
SCHEMBL3484029 0.84 TRPV4 (0.33) TRPV4
SCHEMBL3483940 0.83 TRPV4 (0.35) TRPV4
SCHEMBL4201511 0.82 TRPV4 (0.38) TRPV4
SCHEMBL3484687 0.81 TRPV4 (0.32) TRPV4
SCHEMBL16667188 0.81 CHRNA7 (0.35)
SCHEMBL16667185 0.79 CHRNA7 (0.37)
SCHEMBL4207467 0.78 TRPV4 (0.34) TRPV4
SCHEMBL13031876 0.77 TRPV4 (0.36) TRPV4
SCHEMBL13031904 0.76 TRPV4 (0.33) TRPV4

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-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed