SCHEMBL7302610

SCHEMBL7302610

COc1cccc(OC2C(=O)N=C(c3ncccn3)NC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.44
DYRK1A Q13627 1/20 0.44
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CA2 P00918 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 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
SCHEMBL7293745 0.81 MAPT (0.42) MAPK1HSD17B10MEN1KMT2AHTT
SCHEMBL8321827 0.68 ALOX5 (0.39) MEN1KMT2ACA2GSK3BLMNA
SCHEMBL12302829 0.63 CLK4 (1.00) CLK4DYRK1AMAPK1ALOX15TSHR
1,3-Dimethoxybenzene SCHEMBL9350 0.61 ACHE (0.70) CLK4DYRK1ACA2CES2CES1
1,3-Dimethoxybenzene SCHEMBL901285 0.61 ACHE (0.70) CLK4DYRK1ACA2CES2CES1
1,3-Dimethoxybenzene SCHEMBL27703685 0.60 ACHE (0.61) MEN1KMT2ACA2CES2CES1
1,3-Dimethoxybenzene SCHEMBL7860661 0.59 ACHE (0.67) CLK4DYRK1ACA2CES2CES1
1,3-Dimethoxybenzene SCHEMBL28343465 0.59 ACHE (0.67) CLK4DYRK1ACA2CES2CES1
1,3-Dimethoxybenzene SCHEMBL15870025 0.59 ACHE (0.67) CA2CES2CES1LMNA
1,3-Dimethoxybenzene SCHEMBL28068595 0.59 ACHE (0.67) CLK4DYRK1ACA2CES2CES1

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
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed