SCHEMBL8556682

SCHEMBL8556682

COc1cccc(F)c1-c1nc(Cc2ccccc2)oc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 10/20 0.43
RXRA P19793 1/20 0.40
ELANE P08246 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
GLA P06280 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL8555069 0.93 RXRA (0.43) RPS6KA2RXRAELANECA2CA9
SCHEMBL8560001 0.93 RPS6KA2 (0.43) RPS6KA2RXRAELANEPTGES2CA2
SCHEMBL8559668 0.90 ALPL (0.36) RXRAELANEPTGES2CA2CA9
SCHEMBL8557583 0.89 RXRA (0.40) RXRAELANECA2CA9CA12
SCHEMBL8558290 0.88 RXRA (0.40) RXRACA2CA9CA12CA1
SCHEMBL8556336 0.87 RXRA (0.41) RPS6KA2RXRAELANEPTGES2CA2
SCHEMBL8557954 0.87 RXRA (0.47) RXRACA2CA9CA12CA1
SCHEMBL8557786 0.87 CA12 (0.37) RPS6KA2RXRAPTGES2CA2CA9
SCHEMBL8559802 0.85 RXRA (0.49) RXRAPTGES2CA2CA9CA12
SCHEMBL8560978 0.85 CDK9 (0.42) RXRACA2CA9CA12CA1

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed