SCHEMBL6690477

SCHEMBL6690477

CC[N+]1([O-])C=C(C(=O)O)C(=O)c2c(SCCN)ccc(F)c21.[NaH]

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.32

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
SCHEMBL5868637 0.66
SCHEMBL6696925 0.61 CHRM1 (0.47)
SCHEMBL6696933 0.59 CHRM1 (0.47)
SCHEMBL6690478 0.59 CA2 (0.30) CA2
SCHEMBL6690475 0.58
SCHEMBL8473567 0.53 CDC25A (0.39) CA2
Hydrochloric Acid SCHEMBL28033163 0.52 TSHR (0.46) CA2
SCHEMBL11163658 0.51 TAAR1 (0.44)
SCHEMBL8102005 0.51 CA2 (0.55) CA2
SCHEMBL25490363 0.51 KIF11 (0.42) CA2

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
WO-2004101584-A1 MACROLIDES SUBSTITUTED AT THE 3-POSITION HAVING ANTIMICROBIAL ACTIVITY GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed