SCHEMBL6467539

SCHEMBL6467539

C=CCOCCS(=O)(=O)N(C(N)=O)c1ccc(Cc2ccc(N(C(N)=O)S(=O)(=O)CCOCC=C)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6464097 0.81 TDP1 (0.40) CA1CA2CA9HDAC1HDAC6
SCHEMBL6464370 0.80 PLA2G10 (0.33) CA1CA2CA9HDAC1HDAC6
SCHEMBL6468752 0.76 LTA4H (0.44)
SCHEMBL6466688 0.74 LMNA (0.43)
SCHEMBL27586730 0.74 ALDH1A1 (0.36)
SCHEMBL6462900 0.73 GRM2 (0.40) CA1CA2CA9HDAC1HDAC6
SCHEMBL9435801 0.73 CNR2 (0.45) CA2HDAC1HDAC6
SCHEMBL6470650 0.73 CA12 (0.50) CA1CA2CA7CA9
SCHEMBL8626825 0.70 ALDH1A1 (0.42) CA1CA2CA9HDAC1HDAC6
SCHEMBL6463099 0.69 HSP90AA1 (0.49) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050255998-A1 Mixture of colour developers CIBA SPECIALTY CHEMICALS CORP. 2005-11-17 US disclosed
US-20050106491-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2005-05-19 US disclosed
EP-1480835-A1 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
EP-1480836-A1 MIXTURE OF COLOUR DEVELOPERS Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
WO-2003074284-A1 MIXTURE OF COLOUR DEVELOPERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
WO-2003074285-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
US-5612280-A AROMATIC SULFONYLUREA AND SULFONYLTHIOUREA DERIVATIVES AS COLOR DEVELOPERS; COLORFASTNESS, STORAGE STABILITY, WHITENESS NEW OJI PAPER CO., LTD. (JP) 1997-03-18 US disclosed