SCHEMBL7363954

SCHEMBL7363954

CCN(CC)C(=O)C(C)S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
HTT P42858 3/20 0.36
ABCB11 O95342 1/20 0.36
CYP2E1 P05181 1/20 0.36
PTGS1 P23219 1/20 0.36
GSDMD P57764 1/20 0.36
HTR1A P08908 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DPP4 P27487 1/20 0.34
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL10674828 1.00 LMNA (0.39) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL10675217 1.00 LMNA (0.39) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL11626106 0.84 ALDH1A1 (0.36) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL21065447 0.80 CA12 (0.44) LMNAALDH1A1TDP1CA12CA1
SCHEMBL29330514 0.79 LMNA (0.39) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL3200366 0.78 LMNA (0.42) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL1964784 0.76 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL18098236 0.76 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL1615608 0.76 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL17652005 0.76 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed
US-6060475-A Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof ZENECA LIMITED (GB) 2000-05-09 US disclosed
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO disclosed
US-4775753-A New process for the preparation of pristinamycin IIB derivatives RHONE-POULENC SANTE (FR) 1988-10-04 US disclosed
US-3946071-A HERBICIDES MONSANTO COMPANY (US) 1976-03-23 US disclosed