SCHEMBL6462887

SCHEMBL6462887

O=C(Nc1ccc(Cc2ccc(NC(=O)NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.60
CA2 P00918 7/20 0.60
CA9 Q16790 7/20 0.60
CA12 O43570 5/20 0.60
LMNA P02545 1/20 0.56
HRH3 Q9Y5N1 6/20 0.53
CYP2C9 P11712 1/20 0.52
KCNH2 Q12809 1/20 0.52
BCL2L1 Q07817 1/20 0.51
MCL1 Q07820 1/20 0.51
SRD5A2 P31213 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
PGR P06401 1/20 0.50
ADAMTS4 O75173 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
MEP1B Q16820 1/20 0.49

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
SCHEMBL6467693 0.89 LMNA (0.64) CA1CA2CA9CA12LMNA
SCHEMBL7774821 0.88 LMNA (0.61) CA1CA2CA9CA12LMNA
SCHEMBL8661000 0.86 CA12 (0.60) CA1CA2CA9CA12HRH3
SCHEMBL6469820 0.85 LMNA (0.59) CA1CA2CA9CA12LMNA
SCHEMBL6467353 0.84 SAE1 (0.71) CA1CA2CA9CA12LMNA
SCHEMBL8662451 0.83 LMNA (0.57) CA1CA2CA9CA12LMNA
SCHEMBL8418076 0.81 CA2 (0.58) CA1CA2CA9CA12LMNA
SCHEMBL5517478 0.80 CA12 (0.72) CA1CA2CA9CA12LMNA
SCHEMBL27680 0.80 CA12 (0.72) CA1CA2CA9CA12LMNA
SCHEMBL8417032 0.80 EGFR (0.57) CA1CA2CA9CA12LMNA

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 9 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-2003074285-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
WO-2003074284-A1 MIXTURE OF COLOUR DEVELOPERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
EP-0792755-B1 Thermosensitive recording material OJI PAPER CO (JP) 1998-11-11 EP 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
EP-0604832-A2 Thermosensitive recording material NEW OJI PAPER CO., LTD. (JP) 1994-07-06 EP disclosed