SCHEMBL7548013

SCHEMBL7548013

CCN(CC)CC.CCN(CC)CC.Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.44
ACHE P22303 2/20 0.44
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 4/20 0.43
GAA P10253 4/20 0.43
RECQL P46063 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
CASP6 P55212 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELAVL1 Q15717 1/20 0.43
HSD17B10 Q99714 5/20 0.43
NSD2 O96028 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL7548023 1.00 PRKCI (0.45) PRKCIRAPGEF4ACHEALDH1A1TDP1
SCHEMBL7551938 0.87 CTDSP1 (0.46) PRKCIRAPGEF4ACHEALDH1A1TDP1
SCHEMBL7551944 0.87 CTDSP1 (0.46) PRKCIRAPGEF4ACHEALDH1A1TDP1
Trimethylammonium SCHEMBL7550408 0.86 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1GAARECQL
Trimethylammonium SCHEMBL7550416 0.86 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL229927 0.86 RAPGEF4 (0.55) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL4890522 0.85 ALDH1A1 (0.46) PRKCIRAPGEF4ACHEALDH1A1TDP1
SCHEMBL7549215 0.85 PRKCI (0.46) PRKCIRAPGEF4ACHEALDH1A1TDP1
SCHEMBL7549218 0.85 PRKCI (0.46) PRKCIRAPGEF4ACHEALDH1A1TDP1
SCHEMBL7551464 0.84 GAA (0.45) PRKCIRAPGEF4ACHEALDH1A1TDP1

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-0747418-B1 Aromatic polyimide and gas separation UBE INDUSTRIES (JP) 2002-07-03 EP disclosed
US-5744575-A Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
EP-0747418-A1 Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1996-12-11 EP disclosed