SCHEMBL6964330

SCHEMBL6964330

COc1ccccc1OC1C(=O)N=C(c2cccc(C#N)c2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLK Q9H2G2 6/20 0.42
STK10 O94804 5/20 0.42
CLK4 Q9HAZ1 5/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2C19 P33261 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 3/20 0.39
CYP2D6 P10635 4/20 0.38
USP2 O75604 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KIT P10721 1/20 0.38
MAOB P27338 1/20 0.38
KCNH2 Q12809 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL7444756 0.88 FYN (0.39) SLKSTK10CLK4CLK2GSK3A
SCHEMBL627191 0.76 RAB9A (0.35) SLKSTK10CYP1A2CYP3A4ALDH1A1
SCHEMBL7303598 0.69 CA12 (0.35) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL9469524 0.69 HTR7 (0.55) SLKSTK10CLK4CLK2GSK3A
SCHEMBL7209808 0.69 CA2 (0.46) SLKSTK10ALDH1A1MAPK1USP2
SCHEMBL7296783 0.69 DDB1 (0.37) ALDH1A1PDE4D
SCHEMBL7201836 0.69 CA12 (0.34) SLKSTK10CYP3A4ALDH1A1MEN1
SCHEMBL13430583 0.68
SCHEMBL7330474 0.67 MAPT (0.33) CYP1A2CYP2C19ALDH1A1CYP2D6USP2
SCHEMBL7197852 0.67 SIRT2 (0.49) ALDH1A1USP2MEN1KMT2APDE4D

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-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed