SCHEMBL16712201

SCHEMBL16712201

Nc1ccc(S(=O)(=O)O)c(C2CCC(c3cc(N)ccc3S(=O)(=O)O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
RECQL P46063 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CASP6 P55212 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
NSD2 O96028 2/20 0.41
APEX1 P27695 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 3/20 0.39
NT5E P21589 3/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ELAVL1 Q15717 1/20 0.39

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
SCHEMBL155733 0.93 RAPGEF4 (0.41) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL156786 0.92 RAPGEF4 (0.40) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL155408 0.86 RAPGEF4 (0.46) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL28322517 0.84 L3MBTL1 (0.39) ALDH1A1TDP1L3MBTL1KDM4EPOLB
SCHEMBL155289 0.79 RAPGEF4 (0.44) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL9101971 0.79 PTGDR2 (0.39) ALDH1A1TDP1RECQLL3MBTL1CASP6
SCHEMBL27670308 0.79 PTGDR2 (0.39) CHRNB2CHRNA4
SCHEMBL156690 0.78 RAPGEF4 (0.43) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL2217850 0.75 PTGDR2 (0.46) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL16712196 0.75 PTGDR2 (0.44) L3MBTL1MEN1KMT2A

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
EP-1847568-B1 THERMOSETTING RESIN COMPOSITION, THERMOSETTING-RESIN MOLDING MATERIAL, AND CURED OBJECT OBTAINED THEREFROM SUMITOMO BAKELITE CO (JP) 2015-05-20 EP disclosed