SCHEMBL3424974

SCHEMBL3424974

COc1ccc(C(=NOS(=O)(=O)CCS(=O)(=O)c2ccc(C)cc2)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 5/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
PAX8 Q06710 2/20 0.41
TP53 P04637 2/20 0.40
MMP1 P03956 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL963168 0.83 ALDH1A1 (0.49) ALDH1A1GAAMAPTCYP3A4CYP2C9
SCHEMBL546915 0.83 ALDH1A1 (0.49) ALDH1A1GAAMAPTCYP3A4CYP2C9
SCHEMBL3424979 0.82 ALDH1A1 (0.49) ALDH1A1GAAMAPTCYP3A4CYP2C9
SCHEMBL3424971 0.82 ALDH1A1 (0.49) ALDH1A1GAAMAPTCYP3A4CYP2C9
SCHEMBL7246388 0.82 RECQL (0.39) ALDH1A1GAAMAPTKMT2AHPGD
SCHEMBL12293161 0.82 RECQL (0.39) ALDH1A1GAAMAPTKMT2AHPGD
SCHEMBL14274503 0.81 KMT2A (0.39) ALDH1A1GAAKMT2AHPGDMEN1
SCHEMBL3420948 0.81 KMT2A (0.39) ALDH1A1GAAKMT2AHPGDMEN1
SCHEMBL14839202 0.80 KMT2A (0.40) ALDH1A1GAAKMT2AHPGDLMNA
SCHEMBL3428068 0.80 CYP2C19 (0.39) ALDH1A1GAAMAPTCYP3A4CYP2C9

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