SCHEMBL11059570

SCHEMBL11059570

CCN(CC)c1ccc(N=Nc2c(Br)cc(C)cc2Br)c(NS(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.38
POLB P06746 2/20 0.34
GRK2 P25098 1/20 0.34
DNMT1 P26358 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
S100B P04271 1/20 0.33
BLM P54132 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GFER P55789 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 1/20 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
SCHEMBL31173922 0.84 MAPT (0.38) NR3C1POLBMAPTALDH1A1RAB9A
SCHEMBL8898945 0.84 MAPT (0.38) NR3C1POLBMAPTALDH1A1RAB9A
SCHEMBL8898950 0.84 MAPT (0.38) NR3C1POLBMAPTALDH1A1RAB9A
SCHEMBL29459612 0.78 GFER (0.35) NR3C1MAPTMEN1KMT2AGFER
SCHEMBL8896746 0.75 NR3C1 (0.37) NR3C1MAPTMEN1KMT2AGFER
SCHEMBL8896740 0.75 NR3C1 (0.37) NR3C1MAPTMEN1KMT2AGFER
SCHEMBL14944477 0.75 KDM4E (0.34) NR3C1POLBMAPTALDH1A1GAA
SCHEMBL17342984 0.75 KDM4E (0.36) NR3C1MAPTALDH1A1GAAMEN1
SCHEMBL7767860 0.74 POLB (0.40) POLBGRK2DNMT1CTDSP1MAPT
SCHEMBL7767859 0.74 POLB (0.40) POLBGRK2DNMT1CTDSP1MAPT

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-4479899-A OF POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1984-10-30 US disclosed
US-4452609-A Dyeing red with 2,6-dicyano-2'-sulfonamido-4'-amino-azo-benzenes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-05 US disclosed
US-4269770-A REACTING AN ORTHO-HALO-AZO COMPOUND WITH A METAL-COPPER-CYANIDE COMPLEX IN WATER; SOLVENT-FREE; NONCATALYTIC REACTION BAYER AKTIENGESELLSCHAFT (DE) 1981-05-26 US disclosed