SCHEMBL6467528

SCHEMBL6467528

NC(=O)N(c1cccc2c(N(C(N)=O)S(=O)(=O)Cc3ccccc3)cccc12)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
F2 P00734 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RORC P51449 4/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL27521558 0.81 HSP90AA1 (0.59) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL6467727 0.80 HSP90AA1 (0.54) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL6463099 0.76 HSP90AA1 (0.49) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL27586726 0.76 SIGMAR1 (0.45) PRSS1PRSS2PRSS3F2KDM4E
SCHEMBL6467304 0.75 GAA (0.47) PRSS1PRSS2PRSS3F2CA2
SCHEMBL31483840 0.72 HSP90AA1 (0.51) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL5153729 0.72 HSP90AA1 (0.51) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL27586728 0.71 ALDH1A1 (0.50) HSP90AA1F2ALDH1A1MMP1MMP13
SCHEMBL27515123 0.71 ALDH1A1 (0.39) PRSS1PRSS2PRSS3F2CA1
SCHEMBL28091802 0.70 CA2 (0.44) PRSS1PRSS2PRSS3F2CA1

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 5 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
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