SCHEMBL9055940

SCHEMBL9055940

CCCN1NC(Cc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)=C(C(=O)OC)C1CC

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.42
GPR119 Q8TDV5 1/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36

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
SCHEMBL9061264 0.88 MMP3 (0.40) MMP3GPR119ALOX5APFEN1
SCHEMBL9062806 0.86 MMP3 (0.39) MMP3GPR119ALOX5APFEN1
SCHEMBL9056026 0.86 MMP3 (0.39) MMP3GPR119ALOX5APFEN1
SCHEMBL9061279 0.80 MMP3 (0.42) MMP3GPR119ALOX5APFEN1
SCHEMBL9055893 0.79 MMP3 (0.43) MMP3GPR119ALOX5APFEN1
SCHEMBL9055437 0.77 AGTR1 (0.40)
SCHEMBL9058030 0.76 SCN9A (0.42) MMP3
SCHEMBL9055944 0.76 MMP3 (0.43) MMP3GPR119ALOX5APFEN1
SCHEMBL9055895 0.76 MMP3 (0.45) MMP3GPR119
SCHEMBL9042695 0.76 AGTR1 (0.52)

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-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed