SCHEMBL6467543

SCHEMBL6467543

C=CCOCCS(=O)(=O)NC(=O)Nc1ccc(Cc2ccc(NC(=O)NS(=O)(=O)CCOCC=C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 3/20 0.42
UBA2 Q9UBT2 3/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
MAPT P10636 4/20 0.36
LMNA P02545 4/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
TEAD4 Q15561 1/20 0.34
ACP1 P24666 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6464101 0.81 SAE1 (0.55) SAE1UBA2CA1CA2CA9
SCHEMBL6464378 0.80 SAE1 (0.45) SAE1UBA2CA1CA2CA9
SCHEMBL6468757 0.76 CA12 (0.53) SAE1UBA2CA1CA2CA9
SCHEMBL6466690 0.74 SAE1 (0.64) SAE1UBA2CA1CA2CA9
SCHEMBL6464621 0.74 NLRP3 (0.45) CA1CA2CA9CA12MAPT
SCHEMBL6462904 0.73 HPGD (0.58) SAE1UBA2CA1CA2CA9
SCHEMBL6527823 0.73 HRH3 (0.47) SAE1UBA2CA1CA2CA9
SCHEMBL9435805 0.72 HPGD (0.50) SAE1UBA2CA1CA2CA9
SCHEMBL8091245 0.70 ALDH1A1 (0.46) CA1CA2CA9CA12MAPT
SCHEMBL8662441 0.70 CA1 (0.49) SAE1UBA2CA1CA2CA9

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