SCHEMBL9043902

SCHEMBL9043902

CCCCN1NC(C)C(C(=O)OC)=C1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.44
MMP3 P08254 1/20 0.42
F10 P00742 3/20 0.39
PRSS1 P07477 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9055895 0.89 MMP3 (0.45) MMP3
SCHEMBL9058733 0.86 AGTR1 (0.55)
SCHEMBL9040580 0.86 AGTR1 (0.42)
SCHEMBL9058032 0.84 SCN9A (0.44) SCN9AMMP3F10PRSS1
SCHEMBL9057823 0.84 AGTR1 (0.44)
SCHEMBL9056271 0.78 LMNA (0.36) MEN1LMNAHTTKMT2A
SCHEMBL9056117 0.78 AGTR1 (0.43)
SCHEMBL9040583 0.76 AGTR1 (0.48)
SCHEMBL9043899 0.76 SCN9A (0.41) SCN9AMMP3F10PRSS1
SCHEMBL9042852 0.75 SCN9A (0.40) SCN9AMMP3F10PRSS1KDM4E

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