SCHEMBL3425641

SCHEMBL3425641

CCCCSCCS(=O)(=O)ON=C(c1ccc(OC)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PTGS2 P35354 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP13 P45452 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
NR1I2 O75469 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL4668480 0.94 ALDH1A1 (0.34) MMP13CES1ALDH1A1NPC1RAB9A
SCHEMBL3423834 0.91 ALDH1A1 (0.32) CES1ALDH1A1NPC1RAB9AGAA
SCHEMBL7246388 0.87 RECQL (0.39) HDAC3HDAC1HDAC2PTGS2CES1
SCHEMBL12293161 0.87 RECQL (0.39) HDAC3HDAC1HDAC2PTGS2CES1
SCHEMBL547036 0.86 HDAC3 (0.38) HDAC3HDAC1HDAC2PTGS2MMP13
SCHEMBL547037 0.86 HDAC3 (0.38) HDAC3HDAC1HDAC2PTGS2MMP13
SCHEMBL3425638 0.83 HSD17B10 (0.36) HDAC3HDAC1HDAC2PTGS2PKM
SCHEMBL3425644 0.83 HSD17B10 (0.36) HDAC3HDAC1HDAC2PTGS2PKM
SCHEMBL3420948 0.81 KMT2A (0.39) PKMHSD17B10ALDH1A1LMNANPC1
SCHEMBL14274503 0.81 KMT2A (0.39) PKMHSD17B10ALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472576-B1 SULFONATE DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2013-04-24 EP disclosed
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
US-20080286693-A1 Sulfonate derivatives and the use thereof as latent acids MATSUMOTO AKIRA 2008-11-20 US disclosed
US-20080286693-A1 Sulfonate derivatives and the use thereof as latent acids MATSUMOTO AKIRA 2008-11-20 US disclosed
US-7326511-B2 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
US-7326511-B2 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed
US-20050153244-A1 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORP. 2005-07-14 US disclosed