SCHEMBL6477943

SCHEMBL6477943

O=S(=O)(Nc1ccc2c(OCc3csc(-c4ccc(F)c(Cl)c4)n3)cccc2c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TP53 P04637 1/20 0.40
CTPS1 P17812 1/20 0.39
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
EPHA2 P29317 2/20 0.39
KDR P35968 2/20 0.39
EPHB4 P54760 2/20 0.39
POLB P06746 1/20 0.39
SCN9A Q15858 5/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL6487034 0.92 SCN9A (0.45) CYSLTR2CYSLTR1TP53EGFRERBB2
SCHEMBL6485303 0.90 CYSLTR2 (0.45) CYSLTR2CYSLTR1TP53EGFRERBB2
SCHEMBL6477804 0.88 CYSLTR2 (0.42) CYSLTR2CYSLTR1CTPS1EGFRERBB2
SCHEMBL6476503 0.87 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL6526673 0.86 EGFR (0.46) CYSLTR2CYSLTR1TP53EGFRERBB2
SCHEMBL6484833 0.86 CYSLTR2 (0.46) CYSLTR2CYSLTR1CTPS1EGFRERBB2
SCHEMBL6486897 0.85 MAPT (0.44) CYSLTR2CYSLTR1TP53EGFRERBB2
SCHEMBL6475810 0.85 CYSLTR2 (0.42) CYSLTR2CYSLTR1TP53EGFRERBB2
SCHEMBL6485920 0.85 SHMT2 (0.44) CYSLTR2CYSLTR1TP53EGFRERBB2
SCHEMBL6485372 0.85 CYSLTR2 (0.44) CYSLTR2CYSLTR1POLB

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
US-6933322-B2 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2005-08-23 US disclosed