SCHEMBL5502890

SCHEMBL5502890

CS(=O)(=O)Nc1c(Cl)cc(CNC(=O)O)cc1I

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB2 P07550 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL2002042 0.83 TSHR (0.39) EPHX2TSHRSMN1; SMN2
SCHEMBL2008356 0.79 HPGD (0.33) SMN1; SMN2GRIN1GRIN2B
SCHEMBL2002994 0.75 HDAC8 (0.45) EPHX2
SCHEMBL2002991 0.75 HDAC8 (0.45) EPHX2
SCHEMBL2952173 0.75 KDM4E (0.47)
SCHEMBL5509255 0.73 ALDH1A1 (0.44) EPHX2NR1H4
SCHEMBL2001037 0.72 NSD2 (0.39)
SCHEMBL1999920 0.72 TSHR (0.41) EPHX2TSHRSMN1; SMN2
SCHEMBL2003822 0.69 EPHX2 (0.53) EPHX2NR1H4
SCHEMBL5313569 0.67 EPHX2 (0.61) EPHX2NR1H4SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861358-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101321-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 WO disclosed