SCHEMBL7566865

SCHEMBL7566865

COc1cc(NS(=O)(=O)c2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.56
P2RY4 P51582 7/20 0.52
P2RY2 P41231 3/20 0.52
PGAM1 P18669 3/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MET P08581 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BRD1 O95696 2/20 0.47
BRPF1 P55201 2/20 0.47
BRPF3 Q9ULD4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TRIM24 O15164 1/20 0.46
FGB P02675 1/20 0.46

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
SCHEMBL29368545 0.91 CDK2 (0.68) CDK2P2RY4P2RY2PGAM1MEN1
SCHEMBL7033959 0.91 CDK2 (0.68) CDK2P2RY4P2RY2PGAM1MEN1
SCHEMBL11775960 0.86 ADORA2A (0.54) CDK2P2RY4P2RY2PGAM1MEN1
SCHEMBL10799004 0.84 P2RY4 (0.52) CDK2P2RY4P2RY2PGAM1MEN1
Toluene SCHEMBL12988233 0.83 CDK2 (0.49) CDK2P2RY4P2RY2PGAM1MEN1
SCHEMBL10885495 0.83 ALDH1A1 (0.55) P2RY4P2RY2MEN1KMT2AMET
SCHEMBL24894584 0.82 P2RY4 (0.54) P2RY4P2RY2MEN1KMT2AKDM4E
SCHEMBL12552943 0.82 P2RY4 (0.61) CDK2P2RY4P2RY2MET
SCHEMBL11599593 0.81 CDK2 (0.64) CDK2P2RY4P2RY2PGAM1L3MBTL1
SCHEMBL11599550 0.80 CDK2 (0.56) CDK2P2RY4P2RY2PGAM1MEN1

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-0463993-B1 Process for the preparation of aminoanthraquinone derivatives CIBA SC HOLDING AG (CH) 2002-05-02 EP disclosed
US-5196553-A From bromaminic acid and a benzenesulfonamide or an amide, copper/I/ catalyst formed by in situ reduction of a copper/II/ salt, less copper required CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
US-4110072-A Composition of mixed benzensulfonamido anthraquinone dyes and linear polyester material dyed therewith TOMS RIVER CHEMICAL CORPORATION (US) 1978-08-29 US disclosed