SCHEMBL28066593

SCHEMBL28066593

Cc1cc(C)c(S(=O)(=O)O)c(N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
ALDH1A1 P00352 6/20 0.37
TP53 P04637 4/20 0.37
TSHR P16473 4/20 0.37
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 3/20 0.35
RAPGEF4 Q8WZA2 3/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35

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
SCHEMBL8627896 0.85 RAPGEF4 (0.38) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8217255 0.81 LMNA (0.40) ALDH1A1TP53TSHRCYP3A4TDP1
SCHEMBL159033 0.77 L3MBTL1 (0.42) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2869064 0.77 CA1 (0.41) F2PRSS1PRSS2PRSS3TSHR
SCHEMBL9280690 0.75 ALDH1A1 (0.36) F2PRSS1PRSS2PRSS3ALDH1A1
Sulfuric Acid SCHEMBL8642015 0.75 ALDH1A1 (0.42) ALDH1A1TP53TSHRCYP3A4TDP1
SCHEMBL10426712 0.74 TP53 (0.39) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL83875 0.73 LMNA (0.39) F2PRSS1PRSS2PRSS3ALDH1A1
Hydroxyamine SCHEMBL259333 0.73 CA1 (0.54) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL5685409 0.73 ALDH1A1 (0.46) ALDH1A1TP53TSHRCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103930471-B Flexible polyamines, flexible amine-terminated adducts, compositions thereof, and methods of use PRC-DESOTO INTERNATIONAL, INC. (US) 2016-05-18 CN disclosed