SCHEMBL7444756

SCHEMBL7444756

COc1ccccc1OC1C(=O)N=C(c2ccc(C#N)cc2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
CACNA1B Q00975 5/20 0.38
CACNB4 O00305 4/20 0.38
CACNA1A O00555 4/20 0.38
CACNA1G O43497 4/20 0.38
CACNG3 O60359 4/20 0.38
CACNA1F O60840 4/20 0.38
CACNA1H O95180 4/20 0.38
CACNB3 P54284 4/20 0.38
CACNA2D1 P54289 4/20 0.38
CACNG7 P62955 4/20 0.38
CACNA1D Q01668 4/20 0.38
CACNB1 Q02641 4/20 0.38
CACNG1 Q06432 4/20 0.38
CACNB2 Q08289 4/20 0.38
CACNA1S Q13698 4/20 0.38
CACNA1C Q13936 4/20 0.38
CACNA1E Q15878 4/20 0.38
CACNA2D4 Q7Z3S7 4/20 0.38
CACNA2D3 Q8IZS8 4/20 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
SCHEMBL6964330 0.88 SLK (0.42) STK10SLKCLK2GSK3AGSK3B
SCHEMBL627191 0.78 RAB9A (0.35) STK10SLKKDM4EALDH1A1SMN1; SMN2
SCHEMBL7293097 0.78 STK10 (0.40) FYNSTK10SLK
SCHEMBL7297774 0.78 FYN (0.39) FYNCLK4KDM4EALDH1A1MAPT
SCHEMBL7303932 0.74 ALDH1A1 (0.40) FYNKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7303598 0.72 CA12 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7293888 0.72 CA12 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL7296783 0.71 DDB1 (0.37) ALDH1A1
SCHEMBL13430583 0.71
SCHEMBL7330474 0.69 MAPT (0.33) KDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed