SCHEMBL6468757

SCHEMBL6468757

O=C(Nc1ccc(Cc2ccc(NC(=O)NS(=O)(=O)CCOc3ccccc3)cc2)cc1)NS(=O)(=O)CCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
PPARA Q07869 3/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 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
SCHEMBL6466717 0.91 CYP1A2 (0.55) CA12CA1CA2CA9PPARA
SCHEMBL6466690 0.88 SAE1 (0.64) CA12CA1CA2CA9SAE1
SCHEMBL6464101 0.82 SAE1 (0.55) CA12CA1CA2CA9SAE1
SCHEMBL6463105 0.81 CA1 (0.57) CA12CA1CA2CA9SAE1
SCHEMBL6467543 0.76 SAE1 (0.42) CA12CA1CA2CA9SAE1
SCHEMBL15625531 0.75 MTNR1A (0.57) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL6462887 0.74 CA1 (0.60) CA12CA1CA2CA9SAE1
SCHEMBL6462904 0.74 HPGD (0.58) CA12CA1CA2CA9SAE1
SCHEMBL17342583 0.74 NPC1 (0.80) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL8661000 0.74 CA12 (0.60) CA12CA1CA2CA9HRH3

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-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
EP-0604832-B1 Thermosensitive recording material OJI PAPER CO (JP) 1998-06-03 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