SCHEMBL23677188

SCHEMBL23677188

NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ PTPRC P08575 2/20 0.43
▸ FADS1 O60427 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ PTPN13 Q12923 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL17668344 0.84 FADS1 (0.62) CA2MEN1KMT2AFADS1TDP1
SCHEMBL15613066 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15612985 0.78 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623573 0.78 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23677205 0.77 HTR2B (0.57) CA1CA2CA9MEN1KMT2A
SCHEMBL15612988 0.77 HTR2B (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623130 0.76 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15575102 0.76 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20131064 0.75 PTGES2 (0.48) CYP1A2CA1CA2CA9MEN1
SCHEMBL20131046 0.75 CYP1A2 (0.51) CYP1A2CA1CA2CA9MEN1

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-2890375-B1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-07-28 — — EP disclosed
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