SCHEMBL8074277

SCHEMBL8074277

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
CASP6 P55212 1/20 0.65
MAPT P10636 2/20 0.61
HPGD P15428 1/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
LMNA P02545 2/20 0.60
CYP26A1 O43174 1/20 0.60
CYP26B1 Q9NR63 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 1/20 0.59
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GHSR Q92847 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL397357 0.86 ALDH1A1 (0.64) ALDH1A1MAPTHPGDCA12CA1
SCHEMBL5205017 0.86 HDAC1 (0.75) ALDH1A1CASP6LMNAMEN1KMT2A
SCHEMBL27889027 0.86 ALDH1A1 (0.67) ALDH1A1CASP6CA12CA1CA2
SCHEMBL2693160 0.85 ALDH1A1 (0.63) ALDH1A1MAPTHPGDLMNAMEN1
SCHEMBL8076558 0.85 ALDH1A1 (1.00) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL31681345 0.85 ALDH1A1 (0.63) ALDH1A1CASP6MAPTHPGDLMNA
SCHEMBL2691033 0.85 HDAC1 (0.74) ALDH1A1MAPTHPGDLMNAMEN1
SCHEMBL27884380 0.85 KMT2A (0.61) ALDH1A1CASP6MAPTCA1CA2
SCHEMBL5446391 0.84 L3MBTL1 (0.67) ALDH1A1CASP6MAPTLMNACYP26A1
SCHEMBL9326251 0.83 ALDH1A1 (0.85) ALDH1A1MAPTHPGDCA12CA1

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