SCHEMBL6136816

SCHEMBL6136816

CCCn1c(O)cc(C)c(C#N)c1=O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.73
USP2 O75604 1/20 0.73
LMNA P02545 3/20 0.58
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
MAPT P10636 5/20 0.49
HPGD P15428 1/20 0.49
THRB P10828 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
UPP1 Q16831 1/20 0.44
POLB P06746 1/20 0.43

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
Dimethylamine SCHEMBL11340686 0.95 KDM4E (0.68) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL17949841 0.91 KDM4E (0.60) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL623429 0.90 KDM4E (0.60) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL11129423 0.89 KDM4E (0.59) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL10766144 0.88 KDM4E (0.57) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL10769714 0.88 KDM4E (0.57) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL8561106 0.88 KDM4E (0.57) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL10889819 0.88 KDM4E (0.57) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL10887425 0.88 KDM4E (0.57) KDM4EUSP2LMNAKMT2AMEN1
SCHEMBL11208611 0.88 KDM4E (0.57) KDM4EUSP2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556444-A1 AZO COMPOUNDS Clariant Finance (BVI) Limited (VG) 2005-07-27 EP disclosed
US-20040257973-A1 Optical data medium containing; in the information layer, a dye as a light-absorbing compound LANXESS DEUTSCHLAND GMBH (DE) 2004-12-23 US disclosed
EP-1435094-A2 OPTICAL DATA MEDIUM CONTAINING; IN THE INFORMATION LAYER, A DYE AS A LIGHT-ABSORBING COMPOUND Bayer Chemicals AG (DE) 2004-07-07 EP disclosed
WO-2004035690-A1 AZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2004-04-29 WO disclosed
EP-1377975-A2 OPTICAL DATA MEDIUM CONTAINING, IN THE INFORMATION LAYER, A DYE AS A LIGHTABSORBING COMPOUND AND HAVING A PROTECTIVE COVERING LAYER OF PREDETERMINED THICKNESS Bayer Chemicals AG (DE) 2004-01-07 EP disclosed
US-20030113665-A1 Optical data medium containing, in the information layer, a dye as a light-absorbing compound LANXESS DEUTSCHLAND GMBH (DE) 2003-06-19 US disclosed
WO-2003030158-A2 OPTICAL DATA MEDIUM CONTAINING; IN THE INFORMATION LAYER, A DYE AS A LIGHT-ABSORBING COMPOUND BAYER CHEMICALS AG (DE) 2003-04-10 WO disclosed
WO-2002080150-A2 OPTICAL DATA MEDIUM CONTAINING, IN THE INFORMATION LAYER, A DYE AS A LIGHTABSORBING COMPOUND AND HAVING A PROTECTIVE COVERING LAYER OF PREDETERMINED THICKNESS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed
EP-0085823-B1 DYE MIXTURE, PROCESS FOR ITS PREPARATION AND ITS USE IN DYEING AND PRINTING HYDROPHOBIC TEXTILE MATERIAL CIBA-GEIGY AG (CH) 1986-02-05 EP disclosed
EP-0040582-B1 AZO COMPOUNDS CIBA-GEIGY AG (CH) 1985-03-20 EP disclosed
EP-0041042-B1 AZO COMPOUNDS CIBA-GEIGY AG (CH) 1984-12-05 EP disclosed
EP-0109527-A1 Water-insoluble monoazo dyestuffs, methods for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1984-05-30 EP disclosed
EP-0041042-A1 Azo compounds CIBA-GEIGY AG (CH) 1981-12-02 EP disclosed
EP-0040582-A2 Azo compounds CIBA-GEIGY AG (CH) 1981-11-25 EP disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US disclosed