SCHEMBL8080896

SCHEMBL8080896

Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.65
ALDH1A1 P00352 5/20 0.60
LMNA P02545 5/20 0.60
HSD17B10 Q99714 2/20 0.60
KDM4E B2RXH2 1/20 0.60
TSHR P16473 1/20 0.60
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
LIMK2 P53671 1/20 0.56
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
FFAR1 O14842 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 1/20 0.53

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
SCHEMBL8066353 0.88 ALDH1A1 (0.68) ARALDH1A1LMNACA1CA2
SCHEMBL8074273 0.84 MAPT (0.67) ARALDH1A1LMNAHSD17B10TSHR
SCHEMBL11455802 0.84 ALDH1A1 (0.73) ARALDH1A1LMNAHSD17B10KDM4E
SCHEMBL2693160 0.83 ALDH1A1 (0.63) ALDH1A1LMNAHSD17B10KDM4ETSHR
SCHEMBL9880917 0.83 L3MBTL1 (0.79) ALDH1A1LMNATSHRMAPK1L3MBTL1
SCHEMBL29169367 0.83 L3MBTL1 (0.79) ALDH1A1LMNATSHRMAPK1L3MBTL1
SCHEMBL8508557 0.82 ALDH1A1 (0.64) ALDH1A1LMNACA1CA2MAPK1
SCHEMBL8074277 0.81 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10CA1CA2
Nitrogen SCHEMBL28521302 0.80 L3MBTL1 (0.74) ALDH1A1LMNATSHRMAPK1L3MBTL1
SCHEMBL22664684 0.80 ALDH1A1 (0.78) ARALDH1A1LMNACA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed
US-5879953-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
US-5783696-A Special chemiluminescent acridine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed