SCHEMBL9040893

SCHEMBL9040893

CCCN1NC(C(C)C)=C(C(=O)OCC)C1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.38
PRSS1 P07477 6/20 0.38
SCN9A Q15858 8/20 0.38
MMP3 P08254 1/20 0.34

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
SCHEMBL9057254 0.88 MMP3 (0.38) MMP3
SCHEMBL9040880 0.88 ALOX5 (0.33) F10PRSS1
SCHEMBL9042418 0.88 KDM4E (0.36)
SCHEMBL9039223 0.86 AGTR1 (0.49)
SCHEMBL9043141 0.85 SCN9A (0.41) F10PRSS1SCN9A
SCHEMBL9043397 0.82 IDO1 (0.37)
SCHEMBL9041292 0.81 AGTR1 (0.35)
SCHEMBL9058030 0.80 SCN9A (0.42) F10PRSS1SCN9AMMP3
SCHEMBL9055956 0.79 PTPN1 (0.42)
SCHEMBL9042483 0.78 SCN9A (0.42) F10PRSS1SCN9A

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