SCHEMBL9058030

SCHEMBL9058030

CCCN1NC(CC)=C(C(=O)OC)C1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.42
F10 P00742 4/20 0.38
PRSS1 P07477 3/20 0.38
MMP3 P08254 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL9043936 0.89 CA1 (0.35) SCN9AF10PRSS1MMP3CA1
SCHEMBL9061264 0.89 MMP3 (0.40) MMP3
SCHEMBL9042695 0.86 AGTR1 (0.52)
SCHEMBL9055437 0.86 AGTR1 (0.40)
SCHEMBL9043899 0.85 SCN9A (0.41) SCN9AF10PRSS1MMP3
SCHEMBL9043729 0.80 AGTR1 (0.50)
SCHEMBL9040893 0.80 F10 (0.38) SCN9AF10PRSS1MMP3
SCHEMBL9043141 0.79 SCN9A (0.41) SCN9AF10PRSS1
SCHEMBL9056741 0.78 LMNA (0.36)
SCHEMBL9040908 0.78 AGTR1 (0.54)

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
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed