SCHEMBL10305638

SCHEMBL10305638

O=C(c1cc[n+](O)cc1)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.66
▸ CCR2 P41597 16/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL10223162 0.93 CYP2C9 (0.63) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL306522 0.90 CYP2C9 (0.67) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL13623777 0.90 CYP2C9 (0.61) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL305754 0.89 CYP2C9 (0.66) CYP2C9CCR2CYP3A4
SCHEMBL305568 0.89 CYP2C9 (0.65) CYP2C9CCR2CYP3A4
SCHEMBL304326 0.87 CYP2C9 (0.59) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL10223161 0.86 CYP2C9 (0.61) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL10223262 0.86 CYP2C9 (0.64) CYP2C9CCR2CYP3A4
SCHEMBL305787 0.85 CYP2C9 (0.63) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL10223306 0.84 CYP2C9 (0.62) CYP2C9CCR2CYP3A4KCNH2

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
EP-2474532-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2012-07-11 — — EP disclosed
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