SCHEMBL155288

SCHEMBL155288

[NH]c1ccc(C2CCCC2)c(S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.37
KMO O15229 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 1/20 0.31
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL156689 0.98 CEL (0.38) CELKMOHSP90AA1HDAC4HDAC2
SCHEMBL155407 0.93 HSD11B1 (0.32)
SCHEMBL155732 0.87 CEL (0.33) CELHSP90AA1PTGS2PTGDRPTGDR2
SCHEMBL156785 0.85 CEL (0.35) CELKMOHSP90AA1MEN1KMT2A
SCHEMBL2611706 0.80 KMO (0.49) KMOHSP90AA1HDAC4HDAC2HDAC8
SCHEMBL155289 0.80 RAPGEF4 (0.44) KMOMEN1ALDH1A1POLBKMT2A
SCHEMBL10785907 0.80 LMNA (0.41) CELKMOHSP90AA1HDAC4HDAC2
SCHEMBL156690 0.79 RAPGEF4 (0.43) CELKMOHSP90AA1MEN1ALDH1A1
SCHEMBL2758376 0.75 HSP90AA1 (0.36) CELKMOHSP90AA1MEN1KMT2A
SCHEMBL4279326 0.74 PTGS2 (0.46) KMOALDH1A1PTGS2PTGDR2

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
US-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed