Sugi Predict

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SCHEMBL8560001

SCHEMBL8560001

COc1cccc(F)c1-c1oc(Cc2ccccc2)nc1-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 0.38
▸ ELANE P08246 1/20 0.37
▸ PTGES2 Q9H7Z7 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL8556336 0.93 RXRA (0.41) RPS6KA2RXRAELANEPTGES2CA12
SCHEMBL8556682 0.93 RPS6KA2 (0.43) RPS6KA2RXRAELANEPTGES2CA12
SCHEMBL8557881 0.90 ALPL (0.36) ELANEPTGES2CA12CA1CA2
SCHEMBL8555338 0.89 RXRA (0.38) RXRAELANEPTGES2CA12CA1
SCHEMBL8561044 0.88 NPC1 (0.38) RXRACA12CA1CA2CA9
SCHEMBL8555069 0.87 RXRA (0.43) RPS6KA2RXRAELANECA12CA1
SCHEMBL8559802 0.87 RXRA (0.49) RXRAPTGES2CA12CA1CA2
SCHEMBL8559484 0.87 CA12 (0.37) RPS6KA2RXRAPTGES2CA12CA1
SCHEMBL8557954 0.85 RXRA (0.47) RXRACA12CA1CA2CA9
SCHEMBL7504101 0.85 CA2 (0.47) RPS6KA2RXRACA12CA1CA2

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