Sugi Predict

Sugi Predict / Compounds / SCHEMBL9056026

SCHEMBL9056026

SCHEMBL9056026

CCCN1NC(Cc2ccccc2)=C(C(=O)OCC)C1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.39
▸ AGTR1 P30556 2/20 0.37
▸ AGTR2 P50052 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 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
SCHEMBL9062806 1.00 MMP3 (0.39) MMP3AGTR1AGTR2GPR119ALOX5AP
SCHEMBL9044221 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9057254 0.86 MMP3 (0.38) MMP3AGTR1AGTR2GPR119ALOX5AP
SCHEMBL9061264 0.86 MMP3 (0.40) MMP3AGTR1AGTR2GPR119ALOX5AP
SCHEMBL9055940 0.86 MMP3 (0.42) MMP3GPR119ALOX5APFEN1
SCHEMBL9059392 0.86 GPR119 (0.39) MMP3AGTR1AGTR2GPR119ALOX5AP
SCHEMBL9062808 0.82 MMP3 (0.40) MMP3AGTR1AGTR2GPR119
SCHEMBL9056036 0.82 MMP3 (0.40) MMP3AGTR1AGTR2GPR119
SCHEMBL9042538 0.80 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9044147 0.80 AGTR1 (0.53) AGTR1AGTR2

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