SCHEMBL6529186

SCHEMBL6529186

NC(=O)N(c1ccc(Cc2ccc(N(C(N)=O)S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
CA12 O43570 2/20 0.51
CA14 Q9ULX7 2/20 0.51
ALOX5 P09917 8/20 0.49
PTGES O14684 6/20 0.49
KMT2A Q03164 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.46
CNR2 P34972 1/20 0.46
MCL1 Q07820 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL6467690 0.93 KMT2A (0.51) CA1CA2CA9CA12CA14
SCHEMBL6244071 0.91 KMT2A (0.57) CA1CA2CA9CA12CA14
SCHEMBL6467475 0.86 KMT2A (0.46) CA1CA2CA9CA12CA14
SCHEMBL6462883 0.85 PTGES (0.52) ALOX5PTGESPTPN22
SCHEMBL27679 0.83 LMNA (0.54) KMT2ACNR2
SCHEMBL6465397 0.82 CA1 (0.52) CA1CA2CA9CA12ALOX5
SCHEMBL6466821 0.81 KMT2A (0.53) CA1CA2CA9CA12CA14
SCHEMBL8837714 0.80 CA12 (0.41) CA1CA2CA9CA12CA14
SCHEMBL6467529 0.80 CNR2 (0.42) CA1CA2CA9CA12CA14
SCHEMBL8620628 0.80 TP53 (0.55) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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