SCHEMBL6466690

SCHEMBL6466690

COc1ccc(OCCS(=O)(=O)NC(=O)Nc2ccc(Cc3ccc(NC(=O)NS(=O)(=O)CCOc4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.64
UBA2 Q9UBT2 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47

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
SCHEMBL6468757 0.88 CA12 (0.53) SAE1UBA2SMN1; SMN2NPC1RAB9A
SCHEMBL6466493 0.87 SAE1 (0.71) SAE1UBA2SMN1; SMN2NPC1RAB9A
SCHEMBL6464101 0.86 SAE1 (0.55) SAE1UBA2SMN1; SMN2NPC1RAB9A
SCHEMBL6467353 0.80 SAE1 (0.71) SAE1UBA2SMN1; SMN2NPC1RAB9A
SCHEMBL6466717 0.78 CYP1A2 (0.55) SMN1; SMN2NPC1RAB9AHRH3MEN1
SCHEMBL6466509 0.77 MET (0.61) SAE1UBA2SMN1; SMN2NPC1RAB9A
SCHEMBL6465689 0.77 RAB9A (0.63) SAE1UBA2SMN1; SMN2NPC1RAB9A
SCHEMBL8662949 0.77 HRH3 (0.72) SMN1; SMN2NPC1RAB9AHRH3POLB
SCHEMBL6462904 0.75 HPGD (0.58) SAE1UBA2SMN1; SMN2NPC1RAB9A
SCHEMBL6467543 0.74 SAE1 (0.42) SAE1UBA2SMN1; SMN2NPC1RAB9A

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-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