SCHEMBL7303598

SCHEMBL7303598

COc1ccccc1OC1C(=O)N=C(C(C)C)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
KMT2A Q03164 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 4/20 0.33
USP2 O75604 3/20 0.33
MEN1 O00255 2/20 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
SCHEMBL7293888 0.78 CA12 (0.35) CA12CA1CA2CA4CA7
SCHEMBL7296783 0.77 DDB1 (0.37) CA12CA1CA2CA4CA7
SCHEMBL627191 0.77 RAB9A (0.35) CA12CA1CA2CA4CA7
SCHEMBL7330474 0.75 MAPT (0.33) CA12CA1CA2CA4CA7
SCHEMBL7209808 0.75 CA2 (0.46) CA12CA1CA2CA4CA7
SCHEMBL7303932 0.74 ALDH1A1 (0.40) KMT2AALDH1A1MEN1POLBTP53
SCHEMBL7293097 0.73 STK10 (0.40) CYP3A4CYP2C9
SCHEMBL7297774 0.73 FYN (0.39) KMT2AALDH1A1USP2MEN1HSD17B10
SCHEMBL7197852 0.72 SIRT2 (0.49) CA12CA1CA2CA4CA7
SCHEMBL8323450 0.72 STK10 (0.41) KMT2AALDH1A1USP2MEN1TP53

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