SCHEMBL156404

SCHEMBL156404

CCCCCCc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
TYR P14679 2/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
ALOX5 P09917 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 2/20 0.40
CASP6 P55212 2/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL156572 1.00 MAPT (0.44) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL157232 1.00 MAPT (0.44) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL155283 0.94 RAPGEF4 (0.43) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL27466637 0.88 GPR84 (0.41) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL158549 0.88 GPR84 (0.41) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL27736910 0.88 GPR84 (0.41) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL10799496 0.87 RAPGEF4 (0.45) MAPTMEN1KMT2ATDP1TSHR
Fluoride SCHEMBL28241303 0.87 SRC (0.40) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL30892432 0.84 CA2 (0.46) MAPTMEN1KMT2ATDP1TSHR
SCHEMBL28540894 0.84 CA2 (0.46) MAPTMEN1KMT2ATDP1TSHR

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