SCHEMBL6543334

SCHEMBL6543334

COCc1ccccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
NAMPT P43490 1/20 0.39
MMP2 P08253 5/20 0.39
MMP12 P39900 5/20 0.39
MMP8 P22894 4/20 0.39
MMP13 P45452 4/20 0.39
MMP14 P50281 4/20 0.39
MMP16 P51512 4/20 0.39
CTSB P07858 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP9 P14780 4/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
ADAM17 P78536 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL27571221 0.84 MYC (0.43) MYCMMP2MMP12MMP8MMP13
SCHEMBL15150643 0.82 MEN1 (0.49) NAMPTMMP2MMP12MMP8MMP13
SCHEMBL574790 0.81 CA2 (0.47) CTSBCA1CA2CA5ACA9
SCHEMBL29013762 0.81 MYC (0.41) MYCMMP2MMP12MMP8MMP13
SCHEMBL6619733 0.81 CTSB (0.39) NAMPTMMP2MMP12MMP8MMP13
SCHEMBL31726638 0.81 CA2 (0.47) CTSBCA1CA2CA5ACA9
SCHEMBL29193217 0.80 ALDH1A1 (0.50) MYCMMP2MMP12MMP8MMP13
SCHEMBL29394818 0.79 CTSB (0.52) MYCCTSBKMT2ACYP1A2CA9
SCHEMBL34582 0.79 CTSB (0.52) MYCCTSBKMT2ACYP1A2CA9
SCHEMBL9254895 0.78 HTR6 (0.56) NAMPTMMP2MMP12MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027339-B1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMA IND (IL) 2004-01-02 EP claimed
CN-1699349-A Method and reagents for N-alkylating ureides TARO PHARMA IND (IL) 2005-11-23 CN disclosed
CN-1273581-A Process and reagent for N-alkylation of ureides TARO PHARMA IND (IL) 2000-11-15 CN disclosed